Geometry & MOs

Info

ID:	376016
PubChem CID:	134222016
Reduced:	ClNOF2H10C12 (2)
Stoich.:	ABCD2E10F12 (2)
Weight, g/mol:	528.98158
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	7.09
IP(EA), eV:	-8.72(-0.69)
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-bromobenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)NOCC3=CN=C(C=C3)Cl)OC)C(F)(F)F

DOS

IR

Vibrations