Geometry & MOs

Info

ID:	31371
PubChem CID:	855631
Reduced:	SN2O3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	325.124883
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	5.48
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations