Geometry & MOs

Info

ID:	261845
PubChem CID:	103254993
Reduced:	NF3O3H10C13 (1)
Stoich.:	AB3C3D10E13 (1)
Weight, g/mol:	203.025229
ΔH_f, kcal/mol:	-208.58
Dipole, Da:	6.05
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)amino]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)C(=O)O)CNC2=C(C=C(C=C2F)F)F

DOS

IR

Vibrations