Geometry & MOs

Info

ID:	278126
PubChem CID:	103833607
Reduced:	N2S2O4C13H14 (1)
Stoich.:	A2B2C4D13E14 (1)
Weight, g/mol:	299.073991
ΔH_f, kcal/mol:	-101.45
Dipole, Da:	4.35
IP(EA), eV:	-9.48(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-cyano-3-fluorophenyl)sulfonylamino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNS(=O)(=O)C2=CC=CC=C2C(=O)OC

DOS

IR

Vibrations