Geometry & MOs

Info

ID:	189542
PubChem CID:	77870310
Reduced:	NaS2O7N11C29H30 (1)
Stoich.:	AB2C7D11E29F30 (1)
Weight, g/mol:	356.151826
ΔH_f, kcal/mol:	-193.51
Dipole, Da:	2.96
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(6-oxopiperidine-2-carbonyl)amino]pentanoyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(C4=CC=C(C=C4)O)N(C5CNC(NC5=O)NC6=CC=CC=C6)C(=O)N)SC2)C(=O)[O-].[Na+]

DOS

IR

Vibrations