Geometry & MOs

Info

ID:

402299

PubChem CID:

135055376

Reduced:

OC8H9 (2)

Stoich.:

AB8C9 (2)

Weight, g/mol:

691.444803

ΔHf, kcal/mol:

-51.96

Dipole, Da:

1.64

IP(EA), eV:

-9.04(0.4)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[(1R,4S,6R,7R,9S,10E,12S,17R,19S,20R,29S,32R)-9,32-dihydroxy-6,10,13,19,20,32-hexamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.11,4.14,7.012,17.017,23]pentatriaconta-10,13,22-trien-14-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2C=CCC=C2)C(=O)OC

DOS

IR

Vibrations