Geometry & MOs

Info

ID:	71859
PubChem CID:	48415545
Reduced:	SO2N5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	363.140533
ΔH_f, kcal/mol:	40.82
Dipole, Da:	7.69
IP(EA), eV:	-8.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N,3-dimethyl-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCCC1=NC2=CC=CC=C2N1)C(=O)CCC3=NC(=NO3)C4=CC=CS4

DOS

IR

Vibrations