Geometry & MOs

Info

ID:

296756

PubChem CID:

117591484

Reduced:

N2O4C35H40 (1)

Stoich.:

A2B4C35D40 (1)

Weight, g/mol:

997.512328

ΔHf, kcal/mol:

-105.54

Dipole, Da:

7.69

IP(EA), eV:

 -8.97(-1.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate;3-[(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O.CC1=CCC(C=CCC(=CCC1)C)(C)C

DOS

IR

Vibrations