Geometry & MOs

Info

ID:	70014
PubChem CID:	47206714
Reduced:	BrNSO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	294.98367
ΔH_f, kcal/mol:	-104.58
Dipole, Da:	4.37
IP(EA), eV:	-9.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methylsulfonyl]propanamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)CS(=O)(=O)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations