Geometry & MOs

Info

ID:	79676
PubChem CID:	49829939
Reduced:	Cl2O2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	420.150764
ΔH_f, kcal/mol:	1.75
Dipole, Da:	4.43
IP(EA), eV:	-8.35(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-2-(2-hydroxy-3-phenylmethoxypropyl)sulfanylbenzo[g]quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)ON=CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations