Geometry & MOs

Info

ID:	237299
PubChem CID:	92718109
Reduced:	ClSO2N3H22C23 (1)
Stoich.:	ABC2D3E22F23 (1)
Weight, g/mol:	439.112126
ΔH_f, kcal/mol:	-15.54
Dipole, Da:	3.48
IP(EA), eV:	-8.87(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)CSC3=NC4=CC=CC=C4C(=O)N3[C@H](C)COC)Cl

DOS

IR

Vibrations