Geometry & MOs

Info

ID:

181481

PubChem CID:

76749564

Reduced:

N3O10C39H55 (1)

Stoich.:

A3B10C39D55 (1)

Weight, g/mol:

584.382537

ΔHf, kcal/mol:

-453.07

Dipole, Da:

8.74

IP(EA), eV:

 -9.37(-0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-methylcyclopentyl) N-[1-cyclohexyl-2-[2-(4,5-dioxo-3-propylnon-8-enoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCCC(CC(=O)C1CC2(CN1C(=O)C(CC(=O)OCC(C)C)C3CCCCC3)OCCO2)C(=O)C(=O)CCC(=O)NC(C4=CC=CC=C4)C(=O)N

DOS

IR

Vibrations