Geometry & MOs

Info

ID:

388891

PubChem CID:

134990533

Reduced:

SN3O3C14H15 (1)

Stoich.:

AB3C3D14E15 (1)

Weight, g/mol:

406.271924

ΔHf, kcal/mol:

-25.58

Dipole, Da:

2.05

IP(EA), eV:

 -8.71(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid;hydrate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)NS(=O)(=O)C)N=NC2=CC=CC=C2

DOS

IR

Vibrations