Geometry & MOs

Info

ID:

43988

PubChem CID:

10322722

Reduced:

N5C31H33 (1)

Stoich.:

A5B31C33 (1)

Weight, g/mol:

476.277404

ΔHf, kcal/mol:

112.6

Dipole, Da:

4.59

IP(EA), eV:

 -8.69(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S,6S,8R,17S,18S)-8-heptyl-4,5,17-trihydroxy-6,14,18-trimethyl-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione

Drug info:

PubChemData

Smile

CC(C)N1CCC2(CC1)C3=C(CCN2CC4=NC5=CC=CC=C5N4)C=C(C=C3)C6=CC=CC(=C6)C#N

DOS

IR

Vibrations