Geometry & MOs

Info

ID:	70065
PubChem CID:	47207234
Reduced:	BrNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	299.119129
ΔH_f, kcal/mol:	-115.93
Dipole, Da:	2.13
IP(EA), eV:	-9.09(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)C(C)C(=O)NC1=CC=C(C=C1)Br

DOS

IR

Vibrations