Geometry & MOs

Info

ID:

127947

PubChem CID:

51024249

Reduced:

SO3C20H25 (2)

Stoich.:

AB3C20D25 (2)

Weight, g/mol:

424.166808

ΔHf, kcal/mol:

-44.79

Dipole, Da:

8.51

IP(EA), eV:

 -5.8(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[5-(dimethylsulfamoyl)-2-methoxyanilino]-2-oxoethyl] 2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OC[C@H]2[C@H]3CC[C@@H]([C@H]2COS(=O)(=O)C4=CC=C(C=C4)C)[C@H]5[C@@H]3[C@H]6C[C@@H]5[C@H]7[C@@H]6[C@]8([C@@]7([C@H]9[C@@H]8[C@@H]1CC[C@H]9C1)C)C

DOS

IR

Vibrations