Geometry & MOs

Info

ID:	135913
PubChem CID:	51957038
Reduced:	ClSN3O3H15C18 (1)
Stoich.:	ABC3D3E15F18 (1)
Weight, g/mol:	381.047594
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	5.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769639
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-6-(2-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-pyrrolidin-1-ylmethanolate

Drug info:

PubChemData

Smile

C1CCN(C1)C(=C2C=CC(=CC2=NS(=O)(=O)C3=CC=C(C=C3)C#N)Cl)[O-]

DOS

IR

Vibrations