Geometry & MOs

Info

ID:	177989
PubChem CID:	76261019
Reduced:	ClON2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	449.073153
ΔH_f, kcal/mol:	37.62
Dipole, Da:	3.49
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-chloro-4-oxo-4aH-quinazolin-2-yl)methyl]-2-(2-chlorophenyl)sulfanyl-N-propylpropanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(=NOCC2=CC(=CC=C2)Cl)N

DOS

IR

Vibrations