Geometry & MOs

Info

ID:	299145
PubChem CID:	117672798
Reduced:	SN4O9C32H40 (1)
Stoich.:	AB4C9D32E40 (1)
Weight, g/mol:	719.213069
ΔH_f, kcal/mol:	-285.56
Dipole, Da:	3.53
IP(EA), eV:	-8.3(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[5-[3,3-dimethyl-1-(3-sulfopropyl)indol-1-ium-2-yl]pentyl]-3,3-dimethyl-1-(3-sulfophenyl)-2H-indole-5-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NCCC(=O)NCCOCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O

DOS

IR

Vibrations