Geometry & MOs

Info

ID:

170266

PubChem CID:

75214608

Reduced:

O18H30C35 (1)

Stoich.:

A18B30C35 (1)

Weight, g/mol:

712.452348

ΔHf, kcal/mol:

-646.17

Dipole, Da:

2.82

IP(EA), eV:

 -9.49(-1.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[1-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]-2-(1-methylcyclohexyl)acetyl]-N-(2-ethyl-1-oxamoylcyclopropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide

Drug info:

PubChemData

Smile

C1C2C(C(C(C(O2)OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC=CC=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O)O)(O6)O)C(=O)O1)O)O

DOS

IR

Vibrations