Geometry & MOs

Info

ID:

219874

PubChem CID:

85164993

Reduced:

SO4C16H17 (2)

Stoich.:

AB4C16D17 (2)

Weight, g/mol:

610.238259

ΔHf, kcal/mol:

-243.32

Dipole, Da:

9.95

IP(EA), eV:

 -9.17(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[3-(tert-butylsulfamoyl)phenyl]-2-[(2,4-dimethoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(CS(=O)(=O)C2=CC=CC=C2)C(C(C(CS(=O)(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)O)O

DOS

IR

Vibrations