Geometry & MOs

Info

ID:	298370
PubChem CID:	117648683
Reduced:	FO2N7C26H34 (1)
Stoich.:	AB2C7D26E34 (1)
Weight, g/mol:	518.104225
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	4.01
IP(EA), eV:	-8.65(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-diamino-5-[[4-(2-hydroxyethylsulfonyl)phenyl]diazenyl]-3-[(2-methylphenyl)diazenyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC(=C2)NC3=NC(=C(C=C3C#N)F)N[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C(C)C)C=N1

DOS

IR

Vibrations