Geometry & MOs

Info

ID:	32741
PubChem CID:	7847709
Reduced:	ON3S3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	366.99747
ΔH_f, kcal/mol:	40.18
Dipole, Da:	4.89
IP(EA), eV:	-8.86(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromophenoxy)-N-[(1S)-1-(4-chlorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3CC3

DOS

IR

Vibrations