Geometry & MOs

Info

ID:	53722
PubChem CID:	14717807
Reduced:	N5O6C15H21 (1)
Stoich.:	A5B6C15D21 (1)
Weight, g/mol:	270.09642
ΔH_f, kcal/mol:	-242.77
Dipole, Da:	12.75
IP(EA), eV:	-9.62(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(=O)O)C(=O)O

DOS

IR

Vibrations