Geometry & MOs

Info

ID:	14217
PubChem CID:	406727
Reduced:	O6C21H32 (1)
Stoich.:	A6B21C32 (1)
Weight, g/mol:	380.219889
ΔH_f, kcal/mol:	-247.79
Dipole, Da:	2.6
IP(EA), eV:	-9.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(2R,5R,11R,14S)-2-hydroxy-2,7,11-trimethyl-12-oxo-6,16-dioxatricyclo[11.2.1.05,7]hexadecan-14-yl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCC2([C@H](O2)CC[C@@](C3C[C@H](C(C1=O)O3)C(=C)C(=O)OC)(C)O)C

DOS

IR

Vibrations