Geometry & MOs

Info

ID:	140450
PubChem CID:	52698877
Reduced:	SN3O4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	436.028943
ΔH_f, kcal/mol:	-85.98
Dipole, Da:	4.48
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-6-(3-chloro-4-cyanophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-piperidin-1-ylmethanolate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=CN=C(C=C2)OCC3=CC=CC=C3

DOS

IR

Vibrations