Geometry & MOs

Info

ID:	137283
PubChem CID:	52183897
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	408.036913
ΔH_f, kcal/mol:	-127.7
Dipole, Da:	5.19
IP(EA), eV:	-9.44(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3-(3-methylphenyl)-2-(2-methylsulfonylethylsulfanyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N2C[C@@H](CC2=O)C(=O)N3CCN(CC3)C(=O)C(C)C

DOS

IR

Vibrations