Geometry & MOs

Info

ID:

441546

PubChem CID:

135236016

Reduced:

O2C16H23 (2)

Stoich.:

A2B16C23 (2)

Weight, g/mol:

476.256274

ΔHf, kcal/mol:

-204.53

Dipole, Da:

8.06

IP(EA), eV:

 -9.03(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-phenylethyl 6-hydroxy-5-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3,4-dioxo-2-pentylcyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCC1=C(C(=C(C(=C1C(=O)O)O)[C@@H]2C=C(CC[C@H]2C(=C)C)C)O)[C@H]3C[C@H]4CC[C@@]3(C4(C)C)C

DOS

IR

Vibrations