Geometry & MOs

Info

ID:	381571
PubChem CID:	134972350
Reduced:	SiO4C27H44 (1)
Stoich.:	AB4C27D44 (1)
Weight, g/mol:	188.123486
ΔH_f, kcal/mol:	-193.64
Dipole, Da:	1.9
IP(EA), eV:	-8.68(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-5-methyl-2-(2-sulfanylpropan-2-yl)cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@@H]1C[C@@H](O[C@@H](C1)CC#C)CCOCC2=CC=C(C=C2)OC

DOS

IR

Vibrations