Geometry & MOs

Info

ID:	71946
PubChem CID:	48415646
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	418.146347
ΔH_f, kcal/mol:	-33.55
Dipole, Da:	3.93
IP(EA), eV:	-8.96(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[3-(1H-benzimidazol-2-yl)propyl-methylcarbamoyl]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N(C)CCCC1=NC2=CC=CC=C2N1)NC(=O)C3=CC=CS3

DOS

IR

Vibrations