Geometry & MOs

Info

ID:	70007
PubChem CID:	47206636
Reduced:	ClFNSO3C13H17 (1)
Stoich.:	ABCDE3F13G17 (1)
Weight, g/mol:	321.06017
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	2.02
IP(EA), eV:	-9.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butan-2-yl-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CS(=O)(=O)CC1=C(C=C(C=C1)F)Cl

DOS

IR

Vibrations