Geometry & MOs

Info

ID:

324909

PubChem CID:

126678583

Reduced:

NOC4H6 (4)

Stoich.:

ABC4D6 (4)

Weight, g/mol:

540.226324

ΔHf, kcal/mol:

-150.75

Dipole, Da:

3.74

IP(EA), eV:

 -9.63(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3-chlorophenyl)methyl N-[1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]carbamate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations