Geometry & MOs

Info

ID:	141047
PubChem CID:	52809256
Reduced:	N2O2C11H17 (2)
Stoich.:	A2B2C11D17 (2)
Weight, g/mol:	438.159986
ΔH_f, kcal/mol:	-162.01
Dipole, Da:	4.41
IP(EA), eV:	-8.69(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-oxo-N-[3-oxo-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propyl]-6-thiophen-2-yl-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCC(=O)N1CCN(CC1)C2=CC=CC=N2)OC[C@@H]3CCCO3

DOS

IR

Vibrations