Geometry & MOs

Info

ID:	71955
PubChem CID:	48415655
Reduced:	FO2N4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	398.141262
ΔH_f, kcal/mol:	-91.47
Dipole, Da:	4.54
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-benzimidazol-2-yl)propyl]-N-methyl-2-(4-nitrophenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations