Geometry & MOs

Info

ID:

81276

PubChem CID:

49854539

Reduced:

NO3H17C19 (1)

Stoich.:

AB3C17D19 (1)

Weight, g/mol:

612.336372

ΔHf, kcal/mol:

-85.92

Dipole, Da:

2.7

IP(EA), eV:

 -8.85(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4S,6R,7R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[(3S)-1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]sulfanylacetate;hydrochloride

Drug info:

PubChemData

Smile

C1CC2=CC3=C(C=C2C1)C(=O)N([C@@H]3CC(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations