Geometry & MOs

Info

ID:

422244

PubChem CID:

135117486

Reduced:

SN4O4C14H24 (1)

Stoich.:

AB4C4D14E24 (1)

Weight, g/mol:

656.332233

ΔHf, kcal/mol:

-144.2

Dipole, Da:

3.72

IP(EA), eV:

 -9.53(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,9R,12S,15S,17R)-7-(2-cyclopentylacetyl)-17-hydroxy-3-(1H-indol-3-ylmethyl)-12-methyl-9-phenyl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)CCCC2=CNN=C2

DOS

IR

Vibrations