Geometry & MOs

Info

ID:	135926
PubChem CID:	51957051
Reduced:	S2N3O6C19H21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	470.99221
ΔH_f, kcal/mol:	-189.11
Dipole, Da:	3.72
IP(EA), eV:	-9.3(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[4-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N=C3CCCN3C)C(=O)O

DOS

IR

Vibrations