Geometry & MOs

Info

ID:	376183
PubChem CID:	134222188
Reduced:	Cl2O2F3H13C18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	517.062788
ΔH_f, kcal/mol:	-216.91
Dipole, Da:	6.14
IP(EA), eV:	-9.91(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-5-chlorophenyl]-4,4,4-trifluorobut-1-enyl]-2-(trifluoromethyl)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)O)Cl)C(F)(F)F

DOS

IR

Vibrations