Geometry & MOs

Info

ID:

150605

PubChem CID:

53790298

Reduced:

ClSN2O8C43H63 (1)

Stoich.:

ABC2D8E43F63 (1)

Weight, g/mol:

840.415016

ΔHf, kcal/mol:

-386.66

Dipole, Da:

8.8

IP(EA), eV:

 -9.33(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

hexadecyl 3-[[2-[2-(adamantane-1-carbonylamino)-4-ethylsulfonylphenoxy]-3-oxobutanoyl]amino]-4-chlorobenzoate

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)C3(CCCCC3)C

DOS

IR

Vibrations