Geometry & MOs

Info

ID:

1977

PubChem CID:

5481

Reduced:

O4C18H19 (2)

Stoich.:

A4B18C19 (2)

Weight, g/mol:

598.256668

ΔHf, kcal/mol:

-206.01

Dipole, Da:

1.58

IP(EA), eV:

 -7.18(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(13-benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl)methyl 2-(4-hydroxyphenyl)acetate

Drug info:

PubChemData

Smile

CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)CC6=CC=C(C=C6)O)O)C)OC(O3)(O2)CC7=CC=CC=C7)C(=C)C

DOS

IR

Vibrations