Geometry & MOs

Info

ID:

84132

PubChem CID:

49864458

Reduced:

ClFSO3N4H24C28 (1)

Stoich.:

ABCD3E4F24G28 (1)

Weight, g/mol:

2144.158046

ΔHf, kcal/mol:

-77.21

Dipole, Da:

5.44

IP(EA), eV:

-8.83(-0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](CN1CC2=CC=CS2)C(=O)NC3=C(C=C(C=C3)N4C=CC=CC4=O)F)C(=O)NC5=CC=C(C=C5)Cl

DOS

IR

Vibrations