Geometry & MOs

Info

ID:	322098
PubChem CID:	126668594
Reduced:	ClSO3N6C14H17 (1)
Stoich.:	ABC3D6E14F17 (1)
Weight, g/mol:	548.047871
ΔH_f, kcal/mol:	24.62
Dipole, Da:	4.4
IP(EA), eV:	-8.64(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-methoxy-N-(4-methylphenyl)sulfonylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)S(=O)(=O)N1C=CC(=C1C2=N/C(=C/3\NNN=N3)/C(=C2)OC)Cl

DOS

IR

Vibrations