Geometry & MOs

Info

ID:	51372
PubChem CID:	12014027
Reduced:	SO2C22H26 (1)
Stoich.:	AB2C22D26 (1)
Weight, g/mol:	354.165351
ΔH_f, kcal/mol:	-63.88
Dipole, Da:	3.33
IP(EA), eV:	-9.01(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC2(CC1)[C@H](C[C@@H](O2)[C@@H](C3=CC=CC=C3)O)SC4=CC=CC=C4

DOS

IR

Vibrations