Geometry & MOs

Info

ID:	56106
PubChem CID:	17404458
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	2.25
Dipole, Da:	6.55
IP(EA), eV:	-8.66(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyanoethyl)-N-methyl-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(COC)NC(=O)CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4N31

DOS

IR

Vibrations