Geometry & MOs

Info

ID:	45487
PubChem CID:	10514107
Reduced:	SO2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	238.19328
ΔH_f, kcal/mol:	-82.22
Dipole, Da:	1.78
IP(EA), eV:	-8.62(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,6R,8aR)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalen-1-ol

Drug info:

PubChemData

Smile

CC1(OC[C@H](O1)CSCC2=CC=CC=C2)C

DOS

IR

Vibrations