Geometry & MOs

Info

ID:

190383

PubChem CID:

77994926

Reduced:

F3O3N5C27H32 (1)

Stoich.:

A3B3C5D27E32 (1)

Weight, g/mol:

757.335664

ΔHf, kcal/mol:

-240.89

Dipole, Da:

5.23

IP(EA), eV:

 -8.67(-1.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

23-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-3,21,24-trioxo-2,12,20-trioxa-4,22,25-triazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC(=O)N3CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations