Geometry & MOs

Info

ID:	365879
PubChem CID:	127319129
Reduced:	OSN5C20H25 (1)
Stoich.:	ABC5D20E25 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	21.03
Dipole, Da:	7.8
IP(EA), eV:	-8.57(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxopyrrolidin-1-yl)-N-(2-pyridin-2-ylsulfanylpyridin-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)NC3=CC(=NC=C3)SC4=CC=CC=N4

DOS

IR

Vibrations