Geometry & MOs

Info

ID:	342737
PubChem CID:	127265900
Reduced:	NSO3F4C12H13 (1)
Stoich.:	ABC3D4E12F13 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-273.95
Dipole, Da:	5.0
IP(EA), eV:	-10.08(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[methyl-[methyl-(2-methyl-3-phenylprop-2-enyl)sulfamoyl]amino]butanenitrile

Drug info:

PubChemData

Smile

CC=CCC(CO)NS(=O)(=O)C1=C(C(=CC(=C1F)F)F)F

DOS

IR

Vibrations