Geometry & MOs

Info

ID:	128121
PubChem CID:	51031872
Reduced:	NiN3O4C28H29 (1)
Stoich.:	AB3C4D28E29 (1)
Weight, g/mol:	473.231456
ΔH_f, kcal/mol:	-85.45
Dipole, Da:	4.51
IP(EA), eV:	-8.65(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-[[[2-[[2-(dimethylamino)acetyl]amino]phenyl]-phenylmethylidene]amino]-5-hydroxy-3-phenylpentanoic acid

Drug info:

PubChemData

Smile

CN(C)CC(=NC1=CC=CC=C1C(=N[C@H]([C@@H](CCO)C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=C3)[O-].[Ni+2]

DOS

IR

Vibrations