Geometry & MOs

Info

ID:	408077
PubChem CID:	135080832
Reduced:	NO4C7H13 (1)
Stoich.:	AB4C7D13 (1)
Weight, g/mol:	1759.525796
ΔH_f, kcal/mol:	-188.04
Dipole, Da:	2.81
IP(EA), eV:	-9.99(1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;6,7,15,16,24,25,33,34-octakis(hexylsulfonyl)-2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene

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

C1CC2([C@H]([C@@H]([C@@H]([C@@H]1N2)O)O)O)O

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

C1CC2([C@H]([C@@H]([C@@H]([C@@H]1N2)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):