Geometry & MOs

Info

ID:	124273
PubChem CID:	50876865
Reduced:	NSO3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	386.89624
ΔH_f, kcal/mol:	-134.89
Dipole, Da:	5.33
IP(EA), eV:	-9.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dibromo-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCCOC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)N

DOS

IR

Vibrations