Geometry & MOs

Info

ID:	233929
PubChem CID:	92252590
Reduced:	SO2C14H17 (2)
Stoich.:	AB2C14D17 (2)
Weight, g/mol:	286.141638
ΔH_f, kcal/mol:	-112.24
Dipole, Da:	3.86
IP(EA), eV:	-8.31(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-[(1R,2R,6S,8S,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

CCSC([C@H]([C@H]([C@@H](COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O)O)O)SCC

DOS

IR

Vibrations