Geometry & MOs

Info

ID:

134481

PubChem CID:

51704490

Reduced:

ClON2C18H25 (1)

Stoich.:

ABC2D18E25 (1)

Weight, g/mol:

516.259742

ΔHf, kcal/mol:

-1.47

Dipole, Da:

2.1

IP(EA), eV:

 -8.59(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(2R)-2-[[4-[2-[(8S,9R,10S,13S,14S,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]propanoate

Drug info:

PubChemData

Smile

CC[NH+]1CCC[C@H]1C[NH2+]CC2=CC=C(O2)C3=CC=CC=C3Cl

DOS

IR

Vibrations