Geometry & MOs

Info

ID:	132466
PubChem CID:	51365538
Reduced:	OSN3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	415.171834
ΔH_f, kcal/mol:	42.35
Dipole, Da:	2.73
IP(EA), eV:	-8.27(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(dimethylamino)phenyl]-2-[(2,5-dimethylphenyl)methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations