Geometry & MOs

Info

ID:

302828

PubChem CID:

124397001

Reduced:

N3H25C26 (1)

Stoich.:

A3B25C26 (1)

Weight, g/mol:

346.250795

ΔHf, kcal/mol:

125.14

Dipole, Da:

2.21

IP(EA), eV:

 -8.17(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(3S,8R,9R,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2[C@@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations