Geometry & MOs

Info

ID:	237297
PubChem CID:	92718106
Reduced:	ClOSN4C22H23 (1)
Stoich.:	ABCD4E22F23 (1)
Weight, g/mol:	425.096476
ΔH_f, kcal/mol:	28.67
Dipole, Da:	7.32
IP(EA), eV:	-8.99(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)SCC(=O)N[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations