Geometry & MOs

Info

ID:	8518
PubChem CID:	78846
Reduced:	SN4O6C20H26 (1)
Stoich.:	AB4C6D20E26 (1)
Weight, g/mol:	450.157306
ΔH_f, kcal/mol:	-159.27
Dipole, Da:	6.34
IP(EA), eV:	-7.97(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(4-benzamido-2,5-diethoxyphenyl)diazenyl]-methylamino]ethanesulfonic acid

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OCC)N=NN(C)CCS(=O)(=O)O

DOS

IR

Vibrations