Geometry & MOs

Info

ID:	340787
PubChem CID:	127263222
Reduced:	ClO4N5C28H36 (1)
Stoich.:	AB4C5D28E36 (1)
Weight, g/mol:	253.108086
ΔH_f, kcal/mol:	-138.76
Dipole, Da:	2.93
IP(EA), eV:	-9.45(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-tert-butyl 4-O-ethyl (2S)-2-aminobutanedioate;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)C2=C1C(=NC=N2)N3CCN(CC3)C(=O)[C@H](C4=CC=C(C=C4)Cl)N(C(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations