Geometry & MOs

Info

ID:

167475

PubChem CID:

74833594

Reduced:

SN6O8C39H42 (1)

Stoich.:

AB6C8D39E42 (1)

Weight, g/mol:

828.388034

ΔHf, kcal/mol:

-125.28

Dipole, Da:

6.51

IP(EA), eV:

 -9.0(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-tert-butyl-N-[1-(cyclopropylsulfonylcarbamoyl)-2-ethylcyclopropyl]-12,12-dimethyl-7,10-dioxo-24-phenyl-2,11-dioxa-6,9,23,25-tetrazatetracyclo[17.5.3.13,6.022,26]octacosa-1(25),17,19(27),20,22(26),23-hexaene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2CCCCCC=CC3CC3(NC(=O)C4CC(CN4C2=O)ON=C5C6=CC=CC=C6C7=CC=CC=C75)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations