Geometry & MOs

Info

ID:

296888

PubChem CID:

117599094

Reduced:

NO4C19H31 (1)

Stoich.:

AB4C19D31 (1)

Weight, g/mol:

870.398599

ΔHf, kcal/mol:

-211.91

Dipole, Da:

4.87

IP(EA), eV:

 -10.27(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-22,25-dioxo-11-(2-pyridin-2-ylethoxy)-2,21-dioxa-4,23,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCC[C@H]1CCC=C)OC(=O)N[C@@](C)(C2CCCC2)C(=O)O

DOS

IR

Vibrations