Geometry & MOs

Info

ID:	70006
PubChem CID:	47206631
Reduced:	SN2O4C12H20 (1)
Stoich.:	AB2C4D12E20 (1)
Weight, g/mol:	321.06017
ΔH_f, kcal/mol:	-155.79
Dipole, Da:	3.32
IP(EA), eV:	-9.89(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(2-chloro-4-fluorophenyl)methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CS(=O)(=O)CC(=O)NC(C)(C)C

DOS

IR

Vibrations