Geometry & MOs

Info

ID:	398453
PubChem CID:	135033350
Reduced:	NS2F3O4C16H22 (1)
Stoich.:	AB2C3D4E16F22 (1)
Weight, g/mol:	425.094235
ΔH_f, kcal/mol:	-324.46
Dipole, Da:	2.1
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4aS,8aS)-1-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-3-yl] trifluoromethanesulfinate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC(C2)(C)OS(=O)C(F)(F)F)(C)C

DOS

IR

Vibrations