Geometry & MOs

Info

ID:	56074
PubChem CID:	17404227
Reduced:	OSN4C13H14 (1)
Stoich.:	ABC4D13E14 (1)
Weight, g/mol:	341.083413
ΔH_f, kcal/mol:	60.46
Dipole, Da:	4.16
IP(EA), eV:	-8.8(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetate

Drug info:

PubChemData

Smile

CN1C(=NN=C1SCCC#N)C2=CC=CC=C2OC

DOS

IR

Vibrations