Geometry & MOs

Info

ID:

145276

PubChem CID:

53491470

Reduced:

FSO4N6H27C28 (1)

Stoich.:

ABC4D6E27F28 (1)

Weight, g/mol:

983.57638

ΔHf, kcal/mol:

-34.75

Dipole, Da:

8.58

IP(EA), eV:

 -8.63(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)NC2=CC(=C(C=C2)OC3=C4C(=NC=C3)C=C(S4)C5=NC=C(C=C5)CCNCCOC)F

DOS

IR

Vibrations