Geometry & MOs

Info

ID:	398914
PubChem CID:	135036265
Reduced:	ClNOSC17H18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	363.02925
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	2.05
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-benzylsulfanyl-1-(4-bromophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC(CSCC1=CC=CC=C1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations