Geometry & MOs

Info

ID:	71951
PubChem CID:	48415651
Reduced:	SO2N4C20H24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	3.52
IP(EA), eV:	-8.95(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCCNC(=O)C3=CSC=C3

DOS

IR

Vibrations