Geometry & MOs

Info

ID:	48177
PubChem CID:	10537711
Reduced:	NSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	236.086015
ΔH_f, kcal/mol:	-75.41
Dipole, Da:	5.93
IP(EA), eV:	-9.32(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3,3-difluoroprop-2-enyl)propanedioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)O)O

DOS

IR

Vibrations