Geometry & MOs

Info

ID:	165196
PubChem CID:	74515518
Reduced:	NSF2O5C19H19 (1)
Stoich.:	ABC2D5E19F19 (1)
Weight, g/mol:	355.048999
ΔH_f, kcal/mol:	-239.62
Dipole, Da:	9.89
IP(EA), eV:	-9.19(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethylsulfonyl)phenyl]-3-(2-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC=CC1=CC(=C(C=C1)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C(F)F)OC

DOS

IR

Vibrations