Geometry & MOs

Info

ID:	149468
PubChem CID:	53789141
Reduced:	SN3O7C36H41 (1)
Stoich.:	AB3C7D36E41 (1)
Weight, g/mol:	422.010324
ΔH_f, kcal/mol:	-183.17
Dipole, Da:	6.79
IP(EA), eV:	-8.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-diazonioimino-1,2-bis(2-sulfophenyl)ethylidene]hydrazinylidene]azanide

Drug info:

PubChemData

Smile

CCCN(CCN1C[C@@H]([C@@H]([C@H]1C2=CC=C(C=C2)OC)C(=O)O)C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CC6=C5C=CC=C6N(C)C

DOS

IR

Vibrations