Geometry & MOs

Info

ID:

159252

PubChem CID:

57269324

Reduced:

N2O9C18H26 (1)

Stoich.:

A2B9C18D26 (1)

Weight, g/mol:

652.455034

ΔHf, kcal/mol:

-316.31

Dipole, Da:

8.06

IP(EA), eV:

 -9.93(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 5,17-dihydroxy-19-(4-hydroxy-3-methoxycyclohexyl)-4,6-dimethoxy-2,8,10,16,18-pentamethyl-13-oxo-12-propylnonadeca-10,14,18-trienoate

Drug info:

PubChemData

Smile

CCCCC(C(=O)N)[C@]1([C@H]([C@H]([C@H](O[C@@H]1OC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O)O

DOS

IR

Vibrations