Geometry & MOs

Info

ID:

307198

PubChem CID:

125275747

Reduced:

SO3N4C21H24 (1)

Stoich.:

AB3C4D21E24 (1)

Weight, g/mol:

504.319937

ΔHf, kcal/mol:

-34.58

Dipole, Da:

4.11

IP(EA), eV:

 -8.86(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-hydroxy-4-[[2-[(Z)-[(8S,9R,10R,13R,14R,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetyl]amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=C(N=N1)S(=O)(=O)NC2=CC=C(C=C2)C)C(=O)NC3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations