Geometry & MOs

Info

ID:

59118

PubChem CID:

24771042

Reduced:

ClOSN2C17H19 (1)

Stoich.:

ABCD2E17F19 (1)

Weight, g/mol:

1102.555327

ΔHf, kcal/mol:

38.15

Dipole, Da:

5.77

IP(EA), eV:

-8.5(-0.97)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2=C(N=CC(=C2)OCC3(CC3)CN)Cl

DOS

IR

Vibrations