Geometry & MOs

Info

ID:	32238
PubChem CID:	6436070
Reduced:	O3C38H54 (1)
Stoich.:	A3B38C54 (1)
Weight, g/mol:	631.997771
ΔH_f, kcal/mol:	-143.92
Dipole, Da:	2.45
IP(EA), eV:	-8.76(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]benzo[e]benzotriazole-5-sulfonic acid

Drug info:

PubChemData

Smile

CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C

DOS

IR

Vibrations