Geometry & MOs

Info

ID:	61724
PubChem CID:	26712199
Reduced:	S2N3O5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	425.04088
ΔH_f, kcal/mol:	-171.47
Dipole, Da:	5.68
IP(EA), eV:	-9.39(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[4-[butyl(methyl)sulfamoyl]phenyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations