Geometry & MOs

Info

ID:

59633

PubChem CID:

24891016

Reduced:

SO2F3N3H16C24 (1)

Stoich.:

AB2C3D3E16F24 (1)

Weight, g/mol:

1129.554993

ΔHf, kcal/mol:

-103.21

Dipole, Da:

3.11

IP(EA), eV:

-9.56(-1.51)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)CNS(=O)(=O)C3=CC(=C(C=C3)C4=CC=C(C=C4)C#N)C(F)(F)F

DOS

IR

Vibrations