Geometry & MOs

Info

ID:	51371
PubChem CID:	12014026
Reduced:	SO3C22H28 (1)
Stoich.:	AB3C22D28 (1)
Weight, g/mol:	354.165351
ΔH_f, kcal/mol:	-120.27
Dipole, Da:	2.24
IP(EA), eV:	-8.6(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R)-phenyl-[(2R,4S)-4-phenylsulfanyl-1-oxaspiro[4.5]decan-2-yl]methanol

Drug info:

PubChemData

Smile

C1CCC(CC1)([C@@H](C[C@H]([C@@H](C2=CC=CC=C2)O)O)O)SC3=CC=CC=C3

DOS

IR

Vibrations