Geometry & MOs

Info

ID:	393430
PubChem CID:	135020561
Reduced:	ISiO3C19H29 (1)
Stoich.:	ABC3D19E29 (1)
Weight, g/mol:	372.051299
ΔH_f, kcal/mol:	-150.6
Dipole, Da:	1.33
IP(EA), eV:	-8.76(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-5-chloro-2-(4-oxo-1H-quinazolin-2-yl)phenyl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)O[C@@H]1CC(OC=C1I)COCC2=CC=CC=C2

DOS

IR

Vibrations