Geometry & MOs

Info

ID:	53813
PubChem CID:	14718021
Reduced:	SN2O3C8H8 (1)
Stoich.:	AB2C3D8E8 (1)
Weight, g/mol:	301.06719
ΔH_f, kcal/mol:	-69.22
Dipole, Da:	7.78
IP(EA), eV:	-9.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	-3

Chem-info

IUPAC name:

2-[(2-acetamido-3-carboxylatopropanoyl)amino]pentanedioate

Drug info:

PubChemData

Smile

C1C2=C(C(=O)O1)N3[C@@H]([C@@H](C3=O)N)SC2

DOS

IR

Vibrations