Geometry & MOs

Info

ID:	194928
PubChem CID:	78610168
Reduced:	SN3O4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-145.94
Dipole, Da:	4.66
IP(EA), eV:	-8.91(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(=O)NC(C1C#N)SCC(=O)OCC(=O)NC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations