Geometry & MOs

Info

ID:

191614

PubChem CID:

78168607

Reduced:

SN4O7C13H18 (1)

Stoich.:

AB4C7D13E18 (1)

Weight, g/mol:

831.521825

ΔHf, kcal/mol:

-158.55

Dipole, Da:

5.74

IP(EA), eV:

 -9.52(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[2-[[2-[[2-[[2-[[2-amino-5-(1-aminoethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]propanoylamino]hexanoic acid

Drug info:

PubChemData

Smile

C1CC(N2CC1N(C2=O)OS(=O)(=O)O)C3=NOC(=C3)COC4CNC4

DOS

IR

Vibrations