Geometry & MOs

Info

ID:	134135
PubChem CID:	51650274
Reduced:	SN4O5C20H25 (1)
Stoich.:	AB4C5D20E25 (1)
Weight, g/mol:	396.044979
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	9.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129678
Charge, e:	-2

Chem-info

IUPAC name:

5-[[3-[ethoxy(oxido)methylidene]-6-ethyliminocyclohexa-1,4-dien-1-yl]sulfamoyl]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCN=C1C=CC(=C([O-])OCC)C=C1NS(=O)(=O)C2=CNC(=C2)C(=O)N3CCCC3

DOS

IR

Vibrations