Geometry & MOs

Info

ID:

179362

PubChem CID:

76470925

Reduced:

PSN6O8C27H37 (1)

Stoich.:

ABC6D8E27F37 (1)

Weight, g/mol:

922.28061

ΔHf, kcal/mol:

-347.37

Dipole, Da:

2.64

IP(EA), eV:

 -8.86(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

26-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-13,13-difluoro-1-methyl-24,27-dioxo-8-(trifluoromethoxy)-2,17,23-trioxa-4,11,25,28-tetrazapentacyclo[26.2.1.03,12.05,10.018,22]hentriaconta-3,5(10),6,8,11,14-hexaene-29-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)OC1CCCCC1)NP(=S)(OCC2C(C(C(O2)N3C=NC4=C3N=C(N=C4OC)N)(C)O)O)OC5=CC=CC=C5

DOS

IR

Vibrations