Geometry & MOs

Info

ID:

307848

PubChem CID:

125309911

Reduced:

O2F3N6H15C21 (1)

Stoich.:

A2B3C6D15E21 (1)

Weight, g/mol:

745.39383

ΔHf, kcal/mol:

-63.99

Dipole, Da:

11.47

IP(EA), eV:

 -8.74(-2.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[6-[[4-[2-[(8S,9R,10R,13S,14R,17S)-17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]amino]hexanoylamino]-3-(2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C2=NC(=O)C3=NC(=O)N(C(=N)C3=N2)C4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations