Geometry & MOs

Info

ID:

308505

PubChem CID:

125333284

Reduced:

N5O7C26H35 (1)

Stoich.:

A5B7C26D35 (1)

Weight, g/mol:

601.315186

ΔHf, kcal/mol:

-309.7

Dipole, Da:

4.73

IP(EA), eV:

 -9.5(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[(E)-[(8S,9R,10R,13R,14R,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]ethyl]-5-methoxy-1H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@H]1CCCN1C(=O)[C@H]2CCC(=O)N2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations