Geometry & MOs

Info

ID:	194056
PubChem CID:	78473977
Reduced:	NSO6H12C14 (1)
Stoich.:	ABC6D12E14 (1)
Weight, g/mol:	320.139902
ΔH_f, kcal/mol:	-183.44
Dipole, Da:	6.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037166
Charge, e:	1

Chem-info

IUPAC name:

6'-methoxyspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium]-2-one

Drug info:

PubChemData

Smile

CC(C(=O)[O-])OC1=C(C=CC=C1OC)C=C2C(=O)NC(=O)S2

DOS

IR

Vibrations