Geometry & MOs

Info

ID:

324872

PubChem CID:

126678515

Reduced:

FO4N7C27H36 (1)

Stoich.:

AB4C7D27E36 (1)

Weight, g/mol:

574.252681

ΔHf, kcal/mol:

-169.34

Dipole, Da:

5.96

IP(EA), eV:

 -9.53(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(3S)-6-(diaminomethylideneamino)-1-fluoro-2-oxohexan-3-yl]-1-[(2S)-3-methyl-2-[[4-(trifluoromethoxy)benzoyl]amino]butanoyl]pyrrolidine-2-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)C2=CC=NC3=CC=CC=C23

DOS

IR

Vibrations