Geometry & MOs

Info

ID:	444629
PubChem CID:	135263044
Reduced:	ClON2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	493.08235
ΔH_f, kcal/mol:	-13.59
Dipole, Da:	3.87
IP(EA), eV:	-8.92(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-bromo-4-methylphenyl)-phenylmethyl]-2-(2-ethylsulfanyl-3H-benzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C2=CC=C(O2)C)N)N3CC4CC4C3.Cl

DOS

IR

Vibrations