Geometry & MOs

Info

ID:

219809

PubChem CID:

85164918

Reduced:

N4O7C32H48 (1)

Stoich.:

A4B7C32D48 (1)

Weight, g/mol:

600.345089

ΔHf, kcal/mol:

-318.94

Dipole, Da:

8.56

IP(EA), eV:

 -8.86(0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-hydroxy-5-(3-hydroxy-2-methylprop-1-enyl)-3-(3-hydroxy-2,6,14-trimethyl-9-phenyl-8-oxahexacyclo[16.3.1.01,18.02,15.05,14.06,11]docosa-11,16-dien-19-yl)oxolan-2-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCCCCOC1=CC=C(C=C1)CNC(C(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O)C(=O)O)N

DOS

IR

Vibrations