Geometry & MOs

Info

ID:	49976
PubChem CID:	11538569
Reduced:	NS2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	5.33
IP(EA), eV:	-9.07(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-[5-(3-nitrophenyl)thiophen-2-yl]-3-(piperidin-1-ylmethyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(=O)SCC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations