Geometry & MOs

Info

ID:	132465
PubChem CID:	51365537
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	401.156184
ΔH_f, kcal/mol:	42.21
Dipole, Da:	3.02
IP(EA), eV:	-8.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)N(C)C

DOS

IR

Vibrations