Geometry & MOs

Info

ID:	175825
PubChem CID:	75953389
Reduced:	SF2N6O8C40H50 (1)
Stoich.:	AB2C6D8E40F50 (1)
Weight, g/mol:	444.054476
ΔH_f, kcal/mol:	-355.78
Dipole, Da:	7.47
IP(EA), eV:	-9.71(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[3,4-bis(trifluoromethoxy)phenyl]prop-2-enoyl]quinazolin-4-one

Drug info:

PubChemData

Smile

C1CCCC2CC2(NC(=O)C3CN4CC3OC5=NC6=CC=CC=C6N=C5C(C=CCCC7(CCC7)COC(=O)NC(C4=O)CCC1)(F)F)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations