Geometry & MOs

Info

ID:

175664

PubChem CID:

75933290

Reduced:

SO3N4H15C18 (1)

Stoich.:

AB3C4D15E18 (1)

Weight, g/mol:

347.086115

ΔHf, kcal/mol:

-2.47

Dipole, Da:

1.87

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755388

Charge, e:

 0

Chem-info

IUPAC name:

2-[2,4-bis(methylsulfonyl)anilino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CN1C(=O)C(C(=[N+](C1=O)C)OC2=CC=C(C=C2)SC3=CC=NC=C3)C#N

DOS

IR

Vibrations