Geometry & MOs

Info

ID:	166478
PubChem CID:	74697091
Reduced:	N2S2O3H14C18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	308.092283
ΔH_f, kcal/mol:	-14.68
Dipole, Da:	2.18
IP(EA), eV:	-9.04(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-oxo-3-(3-oxo-1-phenylbutyl)pyrano[3,2-b]pyridin-4-olate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)O

DOS

IR

Vibrations