Geometry & MOs

Info

ID:

324846

PubChem CID:

126678468

Reduced:

FO4N7C24H36 (1)

Stoich.:

AB4C7D24E36 (1)

Weight, g/mol:

582.274816

ΔHf, kcal/mol:

-203.13

Dipole, Da:

4.22

IP(EA), eV:

 -8.98(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-1-[(2S)-2-[[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-morpholin-4-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations