Geometry & MOs

Info

ID:	135910
PubChem CID:	51957035
Reduced:	FSCl2N2O3H14C17 (1)
Stoich.:	ABC2D2E3F14G17 (1)
Weight, g/mol:	393.067581
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	9.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.139977
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-6-(4-methoxyphenyl)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)F)Cl)Cl)[O-]

DOS

IR

Vibrations