Geometry & MOs

Info

ID:	135924
PubChem CID:	51957049
Reduced:	BrClNSO4H11C15 (1)
Stoich.:	ABCDE4F11G15 (1)
Weight, g/mol:	450.079353
ΔH_f, kcal/mol:	-81.4
Dipole, Da:	6.38
IP(EA), eV:	-9.67(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-methyl-5-[[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]sulfamoyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)[O-])S(=O)(=O)[N-]C2=C(C=C(C=C2C)Br)Cl

DOS

IR

Vibrations