Geometry & MOs

Info

ID:	315765
PubChem CID:	126628696
Reduced:	S3N9O14C25H50 (1)
Stoich.:	A3B9C14D25E50 (1)
Weight, g/mol:	383.163377
ΔH_f, kcal/mol:	-599.08
Dipole, Da:	11.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.765251
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxy-4-methylphenyl)-2-(1H-indol-3-yl)-1H-benzimidazole

Drug info:

PubChemData

Smile

CC(CCCC(NC1=NC(=NC(=N1)N(C(CCCC=O)O)C(CCCC(C)NS(=O)(=O)O)O)NC(CCCC(NS(=O)(=O)O)O)O)O)NS(=O)[O-]

DOS

IR

Vibrations