Geometry & MOs

Info

ID:	334914
PubChem CID:	127253720
Reduced:	SN2O4C24H28 (1)
Stoich.:	AB2C4D24E28 (1)
Weight, g/mol:	493.200156
ΔH_f, kcal/mol:	-115.47
Dipole, Da:	2.25
IP(EA), eV:	-8.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(1H-benzimidazol-2-yl)pentyl]-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2CN(CCC2=C1)C(=O)[C@H](CCSC)N3CC4=CC=CC=C4C3=O)OC

DOS

IR

Vibrations