Geometry & MOs

Info

ID:	399507
PubChem CID:	135040629
Reduced:	NO2S2F3H8C9 (1)
Stoich.:	AB2C2D3E8F9 (1)
Weight, g/mol:	198.16198
ΔH_f, kcal/mol:	-206.41
Dipole, Da:	2.32
IP(EA), eV:	-8.71(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,8aR)-4a-[(1S)-1-hydroxyethyl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-1-ol

Drug info:

PubChemData

Smile

CC1N(C2=CC=CC=C2S1)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations