Geometry & MOs

Info

ID:

41292

PubChem CID:

8145615

Reduced:

FS2N4C14H18 (1)

Stoich.:

AB2C4D14E18 (1)

Weight, g/mol:

425.16608

ΔHf, kcal/mol:

30.03

Dipole, Da:

1.2

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.793595

Charge, e:

 0

Chem-info

IUPAC name:

3,4-dimethyl-N,N-bis(2-phenoxyethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations