Geometry & MOs

Info

ID:	318036
PubChem CID:	126648508
Reduced:	O3N4C22H22 (1)
Stoich.:	A3B4C22D22 (1)
Weight, g/mol:	772.146409
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	7.98
IP(EA), eV:	-9.38(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E,6E)-7-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]-2-propan-2-yl-1-(2-sulfo-2,3-dihydroindol-1-yl)hepta-2,4,6-triene-1-sulfonate

Drug info:

PubChemData

Smile

CN(CC1=CC=CC2=C1N=CC=C2)C(=O)C3=CC(=CNC3=O)C(=O)NC4CCC4

DOS

IR

Vibrations