Geometry & MOs

Info

ID:	376175
PubChem CID:	134222180
Reduced:	FOC5H7 (1)
Stoich.:	ABC5D7 (1)
Weight, g/mol:	474.070652
ΔH_f, kcal/mol:	-71.14
Dipole, Da:	2.01
IP(EA), eV:	-8.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[4-(4-amino-2-oxopyrimidin-1-yl)-3-chlorophenyl]-4,4,4-trifluorobut-1-enyl]-2-cyanobenzoic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C/O)\F

DOS

IR

Vibrations