Geometry & MOs

Info

ID:	127817
PubChem CID:	51017483
Reduced:	OC17H30 (1)
Stoich.:	AB17C30 (1)
Weight, g/mol:	438.171224
ΔH_f, kcal/mol:	-98.09
Dipole, Da:	1.95
IP(EA), eV:	-9.7(3.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R,4S,5R,6R)-2-hydroxy-5-(methoxymethoxymethyl)-6-methyl-3-methylidene-7-oxo-2-bicyclo[2.2.2]octanyl]ethyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C[C@@]12CC[C@@H](C1(C)C)[C@@H]([C@@H]2O)CC3CCCCC3

DOS

IR

Vibrations