Geometry & MOs

Info

ID:

82716

PubChem CID:

49856388

Reduced:

SF2N5O9C39H43 (1)

Stoich.:

AB2C5D9E39F43 (1)

Weight, g/mol:

867.313627

ΔHf, kcal/mol:

-361.07

Dipole, Da:

6.23

IP(EA), eV:

 -8.98(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(26R,29S)-N-[(2R)-2-(difluoromethyl)-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-13,13-difluoro-26-(oxan-4-yl)-24,27-dioxo-2,17,23-trioxa-4,25,28-triazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5,7,9,11-pentaene-29-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H]1C(=O)N2CC(C[C@H]2C(=O)NC3(C[C@H]3C(F)F)C(=O)NS(=O)(=O)C4CC4)OC5=NC6=CC=CC=C6C=C5C7=CC(=CC=C7)OCC8(CC8)OC(=O)N1

DOS

IR

Vibrations