Geometry & MOs

Info

ID:

192855

PubChem CID:

78321473

Reduced:

FO2N5C21H24 (1)

Stoich.:

AB2C5D21E24 (1)

Weight, g/mol:

642.316115

ΔHf, kcal/mol:

-34.04

Dipole, Da:

5.38

IP(EA), eV:

 -8.47(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[2-[(2S)-2-amino-2-thiophen-2-ylacetyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CC1(CC1)OC2=CC3=C(C=C2)NN=C3C4=CC(=NC=N4)N5CCC(CC5)(CO)F

DOS

IR

Vibrations