Geometry & MOs

Info

ID:	56018
PubChem CID:	17403776
Reduced:	O2S2N3C10H17 (1)
Stoich.:	A2B2C3D10E17 (1)
Weight, g/mol:	327.067762
ΔH_f, kcal/mol:	-85.78
Dipole, Da:	3.71
IP(EA), eV:	-9.3(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC(C)CNC(=O)NC(=O)CSC1=NCCS1

DOS

IR

Vibrations