Geometry & MOs

Info

ID:	298366
PubChem CID:	117648675
Reduced:	N2O4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	622.115183
ΔH_f, kcal/mol:	-112.05
Dipole, Da:	2.63
IP(EA), eV:	-9.01(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-3-[[4-(2-hydroxyethylsulfonyl)-2-(hydroxymethyl)-5-methoxyphenyl]diazenyl]-5-[(2-methoxycarbonylphenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCC1=C(C=C2C3=NC4=CC=CC=C4C=C3CN2C1=O)[C@](CC)(C(=O)O)O

DOS

IR

Vibrations