Geometry & MOs

Info

ID:	188471
PubChem CID:	77722087
Reduced:	SF2N2O5C21H26 (1)
Stoich.:	AB2C2D5E21F26 (1)
Weight, g/mol:	403.274939
ΔH_f, kcal/mol:	-291.88
Dipole, Da:	4.44
IP(EA), eV:	-9.76(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(5,6,9a,11a-tetramethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-6-ium-6-yl)benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC1=C(C=CC(=C1)F)S(=O)(=O)NCC(C(CC2=CC=C(C=C2)F)NC(=O)O)O

DOS

IR

Vibrations