Geometry & MOs

Info

ID:	149766
PubChem CID:	53789442
Reduced:	FSO2N3C8H8 (1)
Stoich.:	ABC2D3E8F8 (1)
Weight, g/mol:	313.053255
ΔH_f, kcal/mol:	-68.19
Dipole, Da:	4.61
IP(EA), eV:	-8.78(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-cyano-2-fluoro-5-(methoxysulfinylamino)phenyl]-3-oxobutanamide

Drug info:

PubChemData

Smile

COS(=O)NC1=CC(=C(C=C1C#N)F)N

DOS

IR

Vibrations