Geometry & MOs

Info

ID:	203848
PubChem CID:	79881585
Reduced:	NF2O3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	318.037351
ΔH_f, kcal/mol:	-136.13
Dipole, Da:	5.09
IP(EA), eV:	-9.6(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,1-dioxothiolan-3-yl)oxy-3,5-difluorophenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)COC2=C(C=C(C=C2F)C=CC(=O)O)F

DOS

IR

Vibrations