Geometry & MOs

Info

ID:	56075
PubChem CID:	17404229
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	308.073182
ΔH_f, kcal/mol:	-63.94
Dipole, Da:	5.66
IP(EA), eV:	-8.47(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)OC

DOS

IR

Vibrations