Geometry & MOs

Info

ID:	224444
PubChem CID:	85342910
Reduced:	SN3O6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	459.171559
ΔH_f, kcal/mol:	-200.41
Dipole, Da:	3.04
IP(EA), eV:	-9.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[[3-[(2-oxopyridin-1-yl)oxymethyl]thiiran-2-yl]methyl]-2-(2-phenylethyl)propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C)NC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

DOS

IR

Vibrations