Geometry & MOs

Info

ID:	228742
PubChem CID:	87565654
Reduced:	FSN3O4C21H24 (1)
Stoich.:	ABC3D4E21F24 (1)
Weight, g/mol:	497.346486
ΔH_f, kcal/mol:	-143.08
Dipole, Da:	4.13
IP(EA), eV:	-8.92(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(dicyclohexylamino) (2S)-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

COC(=O)C(C1=CC=CC=C1F)N2CCC(/C(=C\C3=NN(C=C3)CCC(=O)O)/C2)S

DOS

IR

Vibrations