Geometry & MOs

Info

ID:	55358
PubChem CID:	17395286
Reduced:	SN2O5C15H16 (1)
Stoich.:	AB2C5D15E16 (1)
Weight, g/mol:	340.097855
ΔH_f, kcal/mol:	-143.04
Dipole, Da:	6.52
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-chloro-2-(4-methoxy-3-methylphenyl)ethenyl]-8-methyl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C(=CC=C2)OC)OC

DOS

IR

Vibrations