Geometry & MOs

Info

ID:	47359
PubChem CID:	10531853
Reduced:	SiO6C37H46 (1)
Stoich.:	AB6C37D46 (1)
Weight, g/mol:	614.176258
ΔH_f, kcal/mol:	-238.14
Dipole, Da:	3.31
IP(EA), eV:	-9.06(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

nickel(2+);4,9,10,15-tetraethyl-5,14-dimethyl-22-thia-21,23,29,31-tetraza-28,30-diazanidaheptacyclo[16.9.1.13,6.18,11.113,16.019,27.020,24]hentriaconta-1,3(31),4,6,8,10,12,14,16(29),17,19(27),20,23,25-tetradecaene

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(OC[C@@H](O1)[C@]2(C([C@@H](C(=O)O2)OCC3=CC=CC=C3)CCC=C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1(OC[C@@H](O1)[C@]2(C([C@@H](C(=O)O2)OCC3=CC=CC=C3)CCC=C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):