Geometry & MOs

Info

ID:	148430
PubChem CID:	53788092
Reduced:	ClN2O4C28H37 (1)
Stoich.:	AB2C4D28E37 (1)
Weight, g/mol:	303.168188
ΔH_f, kcal/mol:	-152.58
Dipole, Da:	5.57
IP(EA), eV:	-9.15(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[tert-butyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CCCCC(CC)COC(=O)C1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations