Geometry & MOs

Info

ID:

214657

PubChem CID:

85083359

Reduced:

F2N3O3C34H39 (1)

Stoich.:

A2B3C3D34E39 (1)

Weight, g/mol:

569.35772

ΔHf, kcal/mol:

-170.15

Dipole, Da:

5.54

IP(EA), eV:

 -8.78(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-[2-[(1-ethynylcyclohexyl)carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

CCC1CCC2C(C1)C(=O)C(=CO2)CN3CCC(CC3)CN4C(=NC(C4=O)(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F)C

DOS

IR

Vibrations