Geometry & MOs

Info

ID:

174960

PubChem CID:

75839185

Reduced:

SF3N3O4C14H17 (1)

Stoich.:

AB3C3D4E14F17 (1)

Weight, g/mol:

381.097012

ΔHf, kcal/mol:

-246.93

Dipole, Da:

10.82

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.756639

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[[4-methyl-3-(trifluoromethyl)phenyl]sulfamoyl]pyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CNNC1S(=O)(=O)[N-]C2=CC(=C(C=C2)C)C(F)(F)F

DOS

IR

Vibrations