Geometry & MOs

Info

ID:

341917

PubChem CID:

127264610

Reduced:

NSO4C17H19 (1)

Stoich.:

ABC4D17E19 (1)

Weight, g/mol:

795.630981

ΔHf, kcal/mol:

-125.75

Dipole, Da:

5.5

IP(EA), eV:

 -9.82(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]tetradecanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C[C@H](C(=O)OCC2=CC=CC=C2)N

DOS

IR

Vibrations