Geometry & MOs

Info

ID:	194929
PubChem CID:	78610169
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	415.081362
ΔH_f, kcal/mol:	-115.5
Dipole, Da:	5.28
IP(EA), eV:	-9.61(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(3-cyano-4-methyl-6-oxopiperidin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(C1C#N)SCC(=O)OCC(=O)NC2CCCC2

DOS

IR

Vibrations