Geometry & MOs

Info

ID:

324913

PubChem CID:

126678602

Reduced:

FSO4N7C22H34 (1)

Stoich.:

ABC4D7E22F34 (1)

Weight, g/mol:

647.380661

ΔHf, kcal/mol:

-197.48

Dipole, Da:

4.18

IP(EA), eV:

 -9.19(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF

DOS

IR

Vibrations