Geometry & MOs

Info

ID:	128116
PubChem CID:	51031867
Reduced:	NO2F3H16C18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	629.203578
ΔH_f, kcal/mol:	-194.53
Dipole, Da:	2.97
IP(EA), eV:	-9.05(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-(2,3-dimethoxyphenyl)-5-hydroxy-2-[[[2-[(1-oxido-2-piperidin-1-ylethylidene)amino]phenyl]-phenylmethylidene]amino]pentanoate;nickel(2+)

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=C(C=C1)C(F)(F)F)\NCC2=CC=CC=C2

DOS

IR

Vibrations