Geometry & MOs

Info

ID:

388982

PubChem CID:

134990803

Reduced:

FINSO4C13H15 (1)

Stoich.:

ABCDE4F13G15 (1)

Weight, g/mol:

410.220557

ΔHf, kcal/mol:

-141.06

Dipole, Da:

4.64

IP(EA), eV:

 -9.87(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2R,2'R,3'S,7'S,9'R,10'S,11'R)-18'-amino-9'-hydroxy-7',11'-dimethyl-5,14'-dioxospiro[oxolane-2,6'-pentacyclo[13.2.1.02,10.03,7.011,16]octadec-15(18)-ene]-16'-carbonitrile

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCC(CCI)C1=NOC2=C1C=CC(=C2)F

DOS

IR

Vibrations