Geometry & MOs

Info

ID:

32245

PubChem CID:

6436136

Reduced:

FNC18H38 (1)

Stoich.:

ABC18D38 (1)

Weight, g/mol:

535.257003

ΔHf, kcal/mol:

-123.52

Dipole, Da:

2.08

IP(EA), eV:

-9.23(1.46)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[2-[(1R,2R,10R,11S,12S,14S,15R)-12-hydroxy-10,14-dimethyl-7-oxo-17-[(Z)-prop-1-enyl]-16,18-dioxapentacyclo[13.3.2.01,14.02,11.05,10]icos-5-en-15-yl]-2-oxoethyl] pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCCN.F

DOS

IR

Vibrations