Geometry & MOs

Info

ID:

144359

PubChem CID:

53354688

Reduced:

F3N4O6C33H41 (1)

Stoich.:

A3B4C6D33E41 (1)

Weight, g/mol:

653.13914

ΔHf, kcal/mol:

-368.08

Dipole, Da:

3.71

IP(EA), eV:

 -9.23(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[[2-[[[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-oxidomethylidene]amino]phenyl]-phenylmethylidene]amino]-3-(3-fluorophenyl)-2-methylpropanoate;nickel(2+)

Drug info:

PubChemData

Smile

CCOC(=O)C(CCC1=CC=CC=C1)N[C@@H](CC2CC2)C(=O)N3C[C@H](C[C@H]3C(=O)O)NC(=O)C[C@@H](CC4=CC(=C(C=C4F)F)F)N

DOS

IR

Vibrations