Geometry & MOs

Info

ID:

81002

PubChem CID:

49854242

Reduced:

FeCl2N5C21H25 (1)

Stoich.:

AB2C5D21E25 (1)

Weight, g/mol:

606.267627

ΔHf, kcal/mol:

141.74

Dipole, Da:

3.57

IP(EA), eV:

 -8.33(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,3R,4aR,5R,8S)-5-[(3aS,5S,6aS)-3a,4,5,6a-tetrahydrofuro[2,3-b]furan-5-yl]-8-acetyloxy-8a-(acetyloxymethyl)-3-hydroxy-5,6-dimethylspiro[3,4,4a,8-tetrahydro-2H-naphthalene-1,2'-oxirane]-2-yl] (2R)-2-acetyloxy-2-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC=C(N1/N=C(\C)/C2=NC(=CC=C2)/C(=N/N3C(=CC=C3C)C)/C)C.[Cl-].[Cl-].[Fe+2]

DOS

IR

Vibrations