Geometry & MOs

Info

ID:

180114

PubChem CID:

76580104

Reduced:

NO4C17H22 (2)

Stoich.:

AB4C17D22 (2)

Weight, g/mol:

642.377469

ΔHf, kcal/mol:

-326.63

Dipole, Da:

7.99

IP(EA), eV:

 -9.19(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-(tert-butylcarbamoylamino)-3,3-dimethylbutanoyl]-N-[1-[2-(dimethylsulfamoyl)ethylamino]-1,2-dioxoheptan-3-yl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)N(CC2=CC=C(C=C2)OCCCCC(=O)O)C(CC3=CC=CC=C3)C(=O)OCC=C

DOS

IR

Vibrations