Geometry & MOs

Info

ID:	425771
PubChem CID:	135127905
Reduced:	OF3N4H17C21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	425.094646
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	5.37
IP(EA), eV:	-8.66(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]-1,3-thiazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC(=NC1=CC=CC=C1C(=C)NC2=CC(=CC=C2)OC(F)(F)F)C3=CN=CN=C3

DOS

IR

Vibrations