Geometry & MOs

Info

ID:

83392

PubChem CID:

49857538

Reduced:

FN3O3H18C21 (1)

Stoich.:

AB3C3D18E21 (1)

Weight, g/mol:

775.325099

ΔHf, kcal/mol:

-81.37

Dipole, Da:

4.65

IP(EA), eV:

 -9.22(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15S,18S,23S)-18-tert-butyl-N-[(2R)-1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-23-methyl-17,20-dioxo-12,21,25-trioxa-10,16,19-triazapentacyclo[24.3.1.113,16.02,11.04,9]hentriaconta-1(30),2,4,6,8,10,26,28-octaene-15-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=CCN3C(=O)N(C(=O)N3C2C4=C(O1)C=C(C=C4)F)C5=CC=CC=C5)C

DOS

IR

Vibrations