Geometry & MOs

Info

ID:	71915
PubChem CID:	48415613
Reduced:	SO3N4C21H26 (1)
Stoich.:	AB3C4D21E26 (1)
Weight, g/mol:	401.210327
ΔH_f, kcal/mol:	-76.76
Dipole, Da:	6.44
IP(EA), eV:	-8.59(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(6-methoxynaphthalen-2-yl)-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)S(=O)(=O)NC)C(=O)N(C)CCCC2=NC3=CC=CC=C3N2

DOS

IR

Vibrations