Geometry & MOs

Info

ID:	30110
PubChem CID:	839991
Reduced:	SO4H14C17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	337.978046
ΔH_f, kcal/mol:	-84.76
Dipole, Da:	3.84
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-(trichloromethyl)quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)C3=CC=CC=C3S2

DOS

IR

Vibrations