Geometry & MOs

Info

ID:	188464
PubChem CID:	77721658
Reduced:	ClN5O6C31H32 (1)
Stoich.:	AB5C6D31E32 (1)
Weight, g/mol:	445.242415
ΔH_f, kcal/mol:	-119.07
Dipole, Da:	5.36
IP(EA), eV:	-8.78(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CC1CC(C2=C1C(=NC=N2)N3CC4(CCN(C4)C(=O)OC(C)(C)C)C5=C3C=CC(=C5)Cl)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-]

DOS

IR

Vibrations