Geometry & MOs

Info

ID:

296787

PubChem CID:

117593065

Reduced:

N5O14C35H45 (1)

Stoich.:

A5B14C35D45 (1)

Weight, g/mol:

671.287447

ΔHf, kcal/mol:

-451.66

Dipole, Da:

17.59

IP(EA), eV:

 -8.66(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione;3-phenyldiazenylpyridine-2,6-diamine;hydrochloride

Drug info:

PubChemData

Smile

CCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C.C1COC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]

DOS

IR

Vibrations