Geometry & MOs

Info

ID:	71924
PubChem CID:	48415623
Reduced:	S2O3N4C18H22 (1)
Stoich.:	A2B3C4D18E22 (1)
Weight, g/mol:	359.17461
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	5.5
IP(EA), eV:	-8.94(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-4-pyrazol-1-ylbenzamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CN(C)S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations