Geometry & MOs

Info

ID:	51378
PubChem CID:	12014034
Reduced:	SO3C16H22 (1)
Stoich.:	AB3C16D22 (1)
Weight, g/mol:	396.175916
ΔH_f, kcal/mol:	-135.21
Dipole, Da:	1.2
IP(EA), eV:	-8.93(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,5S)-2-phenyl-5-phenylsulfanyl-1-oxaspiro[5.5]undecan-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2C[C@H](O[C@](O1)(O2)C)C(C)(C)SC3=CC=CC=C3

DOS

IR

Vibrations