Geometry & MOs

Info

ID:	142629
PubChem CID:	53069091
Reduced:	SN2O5C12H20 (1)
Stoich.:	AB2C5D12E20 (1)
Weight, g/mol:	356.014617
ΔH_f, kcal/mol:	-199.79
Dipole, Da:	7.21
IP(EA), eV:	-9.65(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-N-(4-chloro-2-fluorophenyl)-5-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(N1C)C(=O)OC)S(=O)(=O)NCCCOC

DOS

IR

Vibrations