Geometry & MOs

Info

ID:

128110

PubChem CID:

51031699

Reduced:

NO4H13C16 (2)

Stoich.:

AB4C13D16 (2)

Weight, g/mol:

599.193013

ΔHf, kcal/mol:

-201.68

Dipole, Da:

10.99

IP(EA), eV:

 -8.92(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-5-hydroxy-3-(4-methoxyphenyl)-2-[[[2-[(1-oxido-2-piperidin-1-ylethylidene)amino]phenyl]-phenylmethylidene]amino]pentanoate;nickel(2+)

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC#CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)N4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations