Geometry & MOs

Info

ID:

219985

PubChem CID:

85165114

Reduced:

PN4O9C29H47 (1)

Stoich.:

AB4C9D29E47 (1)

Weight, g/mol:

626.366613

ΔHf, kcal/mol:

-490.79

Dipole, Da:

4.99

IP(EA), eV:

 -9.71(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-(3,4-dimethoxyphenyl)-6-[7-hydroxy-3-(methoxymethoxy)-4,6-dimethylhept-4-en-2-yl]-5-methyl-1,3-dioxan-4-yl]-2-(methoxymethoxy)ethyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)CC(NC(=O)C(CC(=O)NCC1=CC=CC=C1)NC(=O)C(C(C)C)NC(=O)CC(C)C)P(=O)(O)OCC(=O)OC

DOS

IR

Vibrations