Geometry & MOs

Info

ID:	26072
PubChem CID:	637847
Reduced:	O2C10H13 (2)
Stoich.:	A2B10C13 (2)
Weight, g/mol:	392.29266
ΔH_f, kcal/mol:	-168.11
Dipole, Da:	9.35
IP(EA), eV:	-9.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3S,6S)-6-[2-[(1R,2R,4aS)-1,2,5,5-tetramethyl-2,3,4,4a,6,7-hexahydronaphthalen-1-yl]ethyl]-6-methyldioxan-3-yl]propanoic acid

Drug info:

PubChemData

Smile

C[C@]12CCC[C@@]3([C@@H]1CCC(=C)[C@H]3CCC4=CCOC4=O)C(=O)OC2

DOS

IR

Vibrations