Geometry & MOs

Info

ID:	237298
PubChem CID:	92718108
Reduced:	ClSO2N3H20C22 (1)
Stoich.:	ABC2D3E20F22 (1)
Weight, g/mol:	439.112126
ΔH_f, kcal/mol:	-6.05
Dipole, Da:	4.13
IP(EA), eV:	-8.87(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloro-4-methylquinolin-2-yl)methylsulfanyl]-3-[(2R)-1-methoxypropan-2-yl]quinazolin-4-one

Drug info:

PubChemData

Smile

C[C@@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=CC=CC=C4N=C3Cl

DOS

IR

Vibrations