Geometry & MOs

Info

ID:	390900
PubChem CID:	135001474
Reduced:	BrO9C26H43 (1)
Stoich.:	AB9C26D43 (1)
Weight, g/mol:	777.279443
ΔH_f, kcal/mol:	-469.01
Dipole, Da:	3.26
IP(EA), eV:	-10.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[2,4,6-tri(propan-2-yl)phenyl]sulfonylazanide;chlororuthenium(2+);ethane;1-methyl-4-propan-2-ylbenzene

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

CC(C)(C)C(=O)OC[C@@H]1C([C@@H](C(C(O1)Br)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)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

CC(C)(C)C(=O)OC[C@@H]1C([C@@H](C(C(O1)Br)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):