Geometry & MOs

Info

ID:	378418
PubChem CID:	134224499
Reduced:	FNH10C12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	710.347963
ΔH_f, kcal/mol:	52.76
Dipole, Da:	1.96
IP(EA), eV:	-9.63(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[[(1R,2R)-2-[[3-[6-(diethylamino)-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoyl]amino]cyclohexanecarbonyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN=C(/C=C\C#C)C1=CC=CC=C1F

DOS

IR

Vibrations