Geometry & MOs

Info

ID:	183214
PubChem CID:	76992805
Reduced:	NSF3O3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	295.085601
ΔH_f, kcal/mol:	-264.84
Dipole, Da:	4.56
IP(EA), eV:	-9.62(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoro-2-methoxycarbonylanilino)-2,3-dimethyl-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC(=C(C)C(=O)O)C(=O)NC1=CC=CC=C1SC(F)(F)F

DOS

IR

Vibrations