Geometry & MOs

Info

ID:	195283
PubChem CID:	78668605
Reduced:	SN3O6C19H23 (1)
Stoich.:	AB3C6D19E23 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-185.54
Dipole, Da:	4.07
IP(EA), eV:	-9.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2(CCCC2)C#N)OC

DOS

IR

Vibrations