Geometry & MOs

Info

ID:	146192
PubChem CID:	53649114
Reduced:	F2N2S2O3H12C18 (1)
Stoich.:	A2B2C2D3E12F18 (1)
Weight, g/mol:	262.110613
ΔH_f, kcal/mol:	-143.87
Dipole, Da:	5.68
IP(EA), eV:	-9.2(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-(2-phenylethenyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C(=O)C(S2)CC(=O)O)CC3=NC4=C(C=CC(=C4S3)F)F

DOS

IR

Vibrations