Geometry & MOs

Info

ID:	164513
PubChem CID:	74410443
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	684.413838
ΔH_f, kcal/mol:	-172.74
Dipole, Da:	2.98
IP(EA), eV:	-10.18(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl 2-[[[2-[(2-cyclohexyloxycarbonyl-3-oxobut-1-enyl)amino]-1,2-bis(2,4,6-trimethylphenyl)ethyl]amino]methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

CCCC(C)C(C)C(=O)CC(=O)OCC

DOS

IR

Vibrations