Geometry & MOs

Info

ID:

79990

PubChem CID:

49832043

Reduced:

NO9C30H45 (1)

Stoich.:

AB9C30D45 (1)

Weight, g/mol:

376.26136

ΔHf, kcal/mol:

-196.64

Dipole, Da:

10.02

IP(EA), eV:

 -9.08(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (1S,4S,5R,9S,10S,13S,16S)-5,9,13,16-tetramethyl-14-oxo-15-oxatetracyclo[11.3.1.01,10.04,9]heptadecane-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C[C@@]23CC[C@H]([C@@](C1)([C@H]2[C@H](C=C4C[C@@H]([C@]5(C[C@@H]3[C@@H]4[C@H]5OC(=O)C)OC(=O)C)OC)OC)COC)OC(=O)C

DOS

IR

Vibrations