Geometry & MOs

Info

ID:

181843

PubChem CID:

76802356

Reduced:

PO10C43H79 (1)

Stoich.:

AB10C43D79 (1)

Weight, g/mol:

794.294527

ΔHf, kcal/mol:

-634.73

Dipole, Da:

3.17

IP(EA), eV:

 -9.55(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[1-[2-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]-4-(6-methylisoquinolin-1-yl)oxypyrrolidin-1-yl]-1,4-dioxo-4-(3-oxo-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C)C(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC

DOS

IR

Vibrations