Geometry & MOs

Info

ID:	56038
PubChem CID:	17403882
Reduced:	BrN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-102.62
Dipole, Da:	2.44
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetamidophenyl)sulfanyl-N-[2-(4-methylphenoxy)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)CNC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations