Geometry & MOs

Info

ID:	70083
PubChem CID:	47207492
Reduced:	BrNSO3C11H14 (1)
Stoich.:	ABCD3E11F14 (1)
Weight, g/mol:	269.108565
ΔH_f, kcal/mol:	-123.56
Dipole, Da:	2.96
IP(EA), eV:	-9.01(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations