Geometry & MOs

Info

ID:	44454
PubChem CID:	10503630
Reduced:	SN4O4H20C23 (1)
Stoich.:	AB4C4D20E23 (1)
Weight, g/mol:	448.17045
ΔH_f, kcal/mol:	-12.02
Dipole, Da:	2.67
IP(EA), eV:	-9.49(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-diphenylphosphanyl-4,6-dimethylphenyl)-2-methylquinazolin-4-one

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@H]1NS(=O)(=O)C2=CC=C(C=C2)C3=CC=[N+](C=C3)[O-])CC4=CC(=CC=C4)C#N

DOS

IR

Vibrations