Geometry & MOs

Info

ID:	71820
PubChem CID:	48415504
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	335.130363
ΔH_f, kcal/mol:	-91.66
Dipole, Da:	2.53
IP(EA), eV:	-8.78(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-1,1-dioxothiolane-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)N(C)CCCC2=NC3=CC=CC=C3N2)C

DOS

IR

Vibrations