Geometry & MOs

Info

ID:	193816
PubChem CID:	78441704
Reduced:	SN4O4C25H32 (1)
Stoich.:	AB4C4D25E32 (1)
Weight, g/mol:	458.235162
ΔH_f, kcal/mol:	-134.06
Dipole, Da:	6.52
IP(EA), eV:	-8.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

N-[11-(1-methylpiperidin-1-ium-4-yl)-6-oxo-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-1-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)NS(=O)(=O)CC5=CC=CC=C5

DOS

IR

Vibrations