Geometry & MOs

Info

ID:	194927
PubChem CID:	78610025
Reduced:	Cl2O2N3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	389.140927
ΔH_f, kcal/mol:	-62.53
Dipole, Da:	1.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.796727
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylanilino)-2-oxoethyl] 2-(3-cyano-4-methyl-6-oxopiperidin-2-yl)sulfanylacetate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCNC1=O)[NH+](C)CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations