Geometry & MOs

Info

ID:	65289
PubChem CID:	29211909
Reduced:	SN3O3C21H31 (1)
Stoich.:	AB3C3D21E31 (1)
Weight, g/mol:	410.165071
ΔH_f, kcal/mol:	-101.52
Dipole, Da:	5.6
IP(EA), eV:	-9.16(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[1-[(5-acetylthiophen-3-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N/NC(=O)C3=CC(=CC=C3)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations