Geometry & MOs

Info

ID:	155863
PubChem CID:	56367984
Reduced:	SN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	8.11
IP(EA), eV:	-9.45(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-oxo-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-2-thiophen-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(O2)C(=O)NCCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations