Geometry & MOs

Info

ID:

189133

PubChem CID:

77821220

Reduced:

SN5O7C33H57 (1)

Stoich.:

AB5C7D33E57 (1)

Weight, g/mol:

659.33527

ΔHf, kcal/mol:

-358.55

Dipole, Da:

5.09

IP(EA), eV:

 -9.44(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[1-[2-[[1-(1,1-dioxo-3H-1,2-benzothiazol-2-yl)-3,3-dimethylbutan-2-yl]carbamoylamino]acetyl]pyrrolidine-2-carbonyl]amino]-2-oct-1-enylcyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCC(C(=O)C(=O)NCC=C)NC(=O)C1C(CCN1C(=O)C(C(C)(C)C)NC(=O)NC2(CCCCC2)CS(=O)(=O)C)C(C)(C)C

DOS

IR

Vibrations