Geometry & MOs

Info

ID:	132463
PubChem CID:	51365535
Reduced:	OSN3H21C23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	401.156184
ΔH_f, kcal/mol:	52.27
Dipole, Da:	2.33
IP(EA), eV:	-8.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

DOS

IR

Vibrations