Geometry & MOs

Info

ID:

324894

PubChem CID:

126678555

Reduced:

N2O5C19H26 (1)

Stoich.:

A2B5C19D26 (1)

Weight, g/mol:

546.296597

ΔHf, kcal/mol:

-204.11

Dipole, Da:

1.45

IP(EA), eV:

 -9.22(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-3-methylidene-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)OC)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations