Geometry & MOs

Info

ID:

170960

PubChem CID:

75307040

Reduced:

SN5O9C39H47 (1)

Stoich.:

AB5C9D39E47 (1)

Weight, g/mol:

782.279707

ΔHf, kcal/mol:

-257.45

Dipole, Da:

4.74

IP(EA), eV:

 -9.02(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-(difluoromethyl)cyclopropyl]-17,20-dioxo-12,21,25-trioxa-16,19-diazapentacyclo[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

CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC4CN3C(=O)C(NC(=O)OCCCOC5=CC=CC(=C5)C6=CC7=CC=CC=C7N=C6O4)C(C)(C)C

DOS

IR

Vibrations