Geometry & MOs

Info

ID:

150603

PubChem CID:

53790296

Reduced:

ClSN2O8C41H61 (1)

Stoich.:

ABC2D8E41F61 (1)

Weight, g/mol:

790.399366

ΔHf, kcal/mol:

-386.46

Dipole, Da:

8.36

IP(EA), eV:

 -9.09(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexadecyl 4-chloro-3-[[2-[4-methylsulfonyl-2-(2,2,3,3-tetramethylbutanoylamino)phenoxy]-3-oxobutanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=O)C)OC2=C(C=C(C=C2)S(=O)(=O)CC)NC(=O)C(C)(C)CC

DOS

IR

Vibrations