Geometry & MOs

Info

ID:

190384

PubChem CID:

77995362

Reduced:

SN5O10C37H51 (1)

Stoich.:

AB5C10D37E51 (1)

Weight, g/mol:

771.351314

ΔHf, kcal/mol:

-313.59

Dipole, Da:

13.67

IP(EA), eV:

 -9.12(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

24-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-3,22,25-trioxo-2,12,21-trioxa-4,23,26-triazatetracyclo[24.2.1.14,7.06,11]triaconta-6,8,10-triene-27-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)N2CC(CC2C(=O)NC3(CC3C=C)C(=O)NS(=O)(=O)C4CC4)OC(=O)N5CC6=C(C5)C(=CC=C6)OCCCCCCCOC(=O)N1

DOS

IR

Vibrations