Geometry & MOs

Info

ID:	175783
PubChem CID:	75946326
Reduced:	SO3N6C22H32 (1)
Stoich.:	AB3C6D22E32 (1)
Weight, g/mol:	459.170216
ΔH_f, kcal/mol:	-83.13
Dipole, Da:	12.05
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-anilino-N-(1,1-dioxo-4-piperidin-1-ium-1-ylthiolan-3-yl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)NC3CS(=O)(=O)CC3N4CCCCC4)C)C

DOS

IR

Vibrations