Geometry & MOs

Info

ID:

389014

PubChem CID:

134990913

Reduced:

SN5O7C25H33 (1)

Stoich.:

AB5C7D25E33 (1)

Weight, g/mol:

448.201652

ΔHf, kcal/mol:

-255.78

Dipole, Da:

7.45

IP(EA), eV:

 -9.46(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2S,10S,11S,13S,14R,15S,17S)-14-(2-chloroacetyl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-en-14-yl] propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CNC(=O)[C@@H](CCCN=C(N)NS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations