Geometry & MOs

Info

ID:	14634
PubChem CID:	416407
Reduced:	O5N8H22C27 (1)
Stoich.:	A5B8C22D27 (1)
Weight, g/mol:	538.171316
ΔH_f, kcal/mol:	11.74
Dipole, Da:	14.77
IP(EA), eV:	-8.63(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[[2,6-diamino-3-[(4-carboxyphenyl)diazenyl]-5-methylphenyl]diazenyl]phenyl]diazenyl]-2-hydroxybenzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1N)N=NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O)N)N=NC4=CC=C(C=C4)C(=O)O

DOS

IR

Vibrations