Geometry & MOs

Info

ID:	194925
PubChem CID:	78610023
Reduced:	FSN2O4H15C17 (1)
Stoich.:	ABC2D4E15F17 (1)
Weight, g/mol:	402.088557
ΔH_f, kcal/mol:	-121.48
Dipole, Da:	3.16
IP(EA), eV:	-9.1(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3-cyano-4-methyl-6-oxo-3H-pyridin-2-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(C1C#N)SCC(=O)OCCOC2=CC=C(C=C2)F

DOS

IR

Vibrations