Geometry & MOs

Info

ID:	49582
PubChem CID:	11533307
Reduced:	FOSN3H24C30 (1)
Stoich.:	ABCD3E24F30 (1)
Weight, g/mol:	493.038722
ΔH_f, kcal/mol:	50.85
Dipole, Da:	4.04
IP(EA), eV:	-8.8(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(6-chloropyrimidin-4-yl)amino]-N-[4-[2-fluoro-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC=C(S4)CC(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations