Geometry & MOs

Info

ID:	27777
PubChem CID:	823510
Reduced:	SO2N3H11C15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	318.032668
ΔH_f, kcal/mol:	15.12
Dipole, Da:	3.26
IP(EA), eV:	-8.97(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-dichlorophenyl)-2-ethylquinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C2=NNC(=S)N)C=CC=C3C(=O)O

DOS

IR

Vibrations