Geometry & MOs

Info

ID:	396460
PubChem CID:	135028460
Reduced:	O5C17H22 (1)
Stoich.:	A5B17C22 (1)
Weight, g/mol:	395.267173
ΔH_f, kcal/mol:	-195.9
Dipole, Da:	4.04
IP(EA), eV:	-10.04(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide

Drug info:

PubChemData

Smile

C[C@]1(CC(=C)[C@H]2[C@@]1(C=CC(=O)[C@@]2(C)C(=O)OC)C)C(=O)OC

DOS

IR

Vibrations