Geometry & MOs

Info

ID:	173800
PubChem CID:	75684921
Reduced:	SN4O6C14H14 (1)
Stoich.:	AB4C6D14E14 (1)
Weight, g/mol:	387.20323
ΔH_f, kcal/mol:	-89.55
Dipole, Da:	8.7
IP(EA), eV:	-9.91(-2.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

spiro[3,5,6,7-tetrahydroimidazo[4,5-c]pyridin-3-ium-4,4'-piperidine]-1'-yl-(3,4,5-trimethoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(C)C(=O)[O-]

DOS

IR

Vibrations