Geometry & MOs

Info

ID:	339191
PubChem CID:	127260570
Reduced:	N2O11C32H38 (1)
Stoich.:	A2B11C32D38 (1)
Weight, g/mol:	426.012231
ΔH_f, kcal/mol:	-442.94
Dipole, Da:	2.28
IP(EA), eV:	-9.01(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(4-amino-4-carboxybutyl)hydrazinyl]methylideneamino]butanedioate;barium(2+)

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)O[C@@H]2C[C@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)OC6CC(C(C(O6)C)O)N)N)O

DOS

IR

Vibrations