Geometry & MOs

Info

ID:	127838
PubChem CID:	51019017
Reduced:	OH3C4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	380.086942
ΔH_f, kcal/mol:	-76.59
Dipole, Da:	2.05
IP(EA), eV:	-9.59(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,4R,5S)-8-(1,1,2,2,2-pentafluoroethyl)-8-tricyclo[3.2.1.02,4]octanyl] 4-methylbenzenesulfinate

Drug info:

PubChemData

Smile

C=C1[C@H]2[C@H]3[C@@H]([C@H](C1=C)O2)C(=O)C4=C(C3=O)C=CC=C4O

DOS

IR

Vibrations