Geometry & MOs

Info

ID:

164232

PubChem CID:

74382474

Reduced:

N2O3C15H24 (1)

Stoich.:

A2B3C15D24 (1)

Weight, g/mol:

692.418271

ΔHf, kcal/mol:

-120.07

Dipole, Da:

3.56

IP(EA), eV:

 -8.42(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[3-[2-[[1-(tert-butylsulfonylmethyl)cyclohexyl]carbamoylamino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]-N-cyclopropyl-2-oxohexanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=CC(=C1)C(=O)OCC(C)N(C)C)N

DOS

IR

Vibrations