Geometry & MOs

Info

ID:

324891

PubChem CID:

126678551

Reduced:

BrFO4N6C25H36 (1)

Stoich.:

ABC4D6E25F36 (1)

Weight, g/mol:

534.296597

ΔHf, kcal/mol:

-205.9

Dipole, Da:

5.46

IP(EA), eV:

 -9.48(-0.57)

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-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)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