Geometry & MOs

Info

ID:	228495
PubChem CID:	87564906
Reduced:	ON3C22H23 (1)
Stoich.:	AB3C22D23 (1)
Weight, g/mol:	317.183838
ΔH_f, kcal/mol:	70.63
Dipole, Da:	14.9
IP(EA), eV:	-8.47(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C#N)C#N)C=C(O1)C=CC2=CC=C(C=C2)N(C)C

DOS

IR

Vibrations