Geometry & MOs

Info

ID:

128120

PubChem CID:

51031871

Reduced:

NO2C11H13 (3)

Stoich.:

AB2C11D13 (3)

Weight, g/mol:

529.151148

ΔHf, kcal/mol:

-182.06

Dipole, Da:

6.61

IP(EA), eV:

 -8.97(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3S)-2-[[[2-[[2-(dimethylamino)-1-oxidoethylidene]amino]phenyl]-phenylmethylidene]amino]-5-hydroxy-3-phenylpentanoate;nickel(2+)

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H](CCO)[C@H](C(=O)O)N=C(C2=CC=CC=C2)C3=CC=CC=C3NC(=O)CN4CCCCC4)OC

DOS

IR

Vibrations