Geometry & MOs

Info

ID:	221484
PubChem CID:	85273764
Reduced:	O2C21H26 (1)
Stoich.:	A2B21C26 (1)
Weight, g/mol:	310.160266
ΔH_f, kcal/mol:	-81.97
Dipole, Da:	2.6
IP(EA), eV:	-8.74(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)sulfonyl-3-methylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC12CCC3C(C14CCCC2(C=C4)O)CCC5=C3C=CC(=C5)O

DOS

IR

Vibrations