Geometry & MOs

Info

ID:	65934
PubChem CID:	46484600
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	358.054277
ΔH_f, kcal/mol:	-45.68
Dipole, Da:	5.85
IP(EA), eV:	-8.73(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3,6-dimethylquinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)C3=C(C=C(C(=C3)C)C)C

DOS

IR

Vibrations