Geometry & MOs

Info

ID:	89778
PubChem CID:	49964447
Reduced:	ClO2S2N6C21H23 (1)
Stoich.:	AB2C2D6E21F23 (1)
Weight, g/mol:	511.95006
ΔH_f, kcal/mol:	8.26
Dipole, Da:	3.53
IP(EA), eV:	-8.55(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dichlorophenyl)methoxy]-2-[(2,4-dichlorophenyl)methylsulfanyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN1CCC2=C(C1)C(=O)N3C(=N2)SC(=N3)SCC(=O)N4CCN(CC4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations