Geometry & MOs

Info

ID:	72226
PubChem CID:	48415945
Reduced:	OSN4C17H20 (1)
Stoich.:	ABC4D17E20 (1)
Weight, g/mol:	368.184841
ΔH_f, kcal/mol:	15.62
Dipole, Da:	4.24
IP(EA), eV:	-8.9(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations