Geometry & MOs

Info

ID:	376020
PubChem CID:	134222020
Reduced:	OCl2F3N4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	465.086717
ΔH_f, kcal/mol:	-145.31
Dipole, Da:	5.73
IP(EA), eV:	-9.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-[3-(4-amino-2-oxopyrimidin-1-yl)-5-chloro-4-fluorophenyl]-4,4,4-trifluorobut-1-enyl]-2-methylbenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2C=CC(=NC2=O)N)Cl)C(/C=C/C3=CC(=C(C=C3)CNC)Cl)C(F)(F)F

DOS

IR

Vibrations