Geometry & MOs

Info

ID:

44965

PubChem CID:

10506869

Reduced:

O2N3C15H21 (2)

Stoich.:

A2B3C15D21 (2)

Weight, g/mol:

551.299536

ΔHf, kcal/mol:

-159.3

Dipole, Da:

3.79

IP(EA), eV:

 -8.75(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[(2R)-2-[[(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=N1)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CC(C)C)NC(=O)N4CCCCCC4)C

DOS

IR

Vibrations