Geometry & MOs

Info

ID:	410336
PubChem CID:	135083131
Reduced:	LiSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	576.04327
ΔH_f, kcal/mol:	-89.43
Dipole, Da:	7.22
IP(EA), eV:	-7.98(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[(2S)-1-benzylpyrrolidine-2-carbonyl]-[2-[(E)-N-[bromo(carboxy)methyl]-C-phenylcarbonimidoyl]phenyl]azanide;nickel

Drug info:

PubChemData

Smile

[Li+].C1=CC=C(C=C1)CO[CH-]S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations