Geometry & MOs

Info

ID:	40975
PubChem CID:	8145047
Reduced:	ON2S2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	342.059362
ΔH_f, kcal/mol:	30.62
Dipole, Da:	2.88
IP(EA), eV:	-8.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-(2,3-dihydro-1H-inden-5-ylsulfanylmethyl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSCC(=O)N/N=C/C2=CC=CS2

DOS

IR

Vibrations