Geometry & MOs

Info

ID:

311405

PubChem CID:

126591593

Reduced:

S4N6O6C23H30 (1)

Stoich.:

A4B6C6D23E30 (1)

Weight, g/mol:

338.134108

ΔHf, kcal/mol:

-67.31

Dipole, Da:

10.99

IP(EA), eV:

 -8.99(-2.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R,6S,7R)-6-methoxy-4-methyl-7-[(2R,3R)-2-methyl-3-[2-(trifluoromethoxy)ethyl]oxiran-2-yl]-1-oxaspiro[2.5]octan-5-one

Drug info:

PubChemData

Smile

CCC(CCC(C)C(=O)NCCSSC1=C(C=CC=N1)[N+](=O)[O-])C(=O)NCCSSC2=C(C=CC=N2)[N+](=O)[O-]

DOS

IR

Vibrations