Geometry & MOs

Info

ID:	199347
PubChem CID:	79232490
Reduced:	BrSN2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-97.27
Dipole, Da:	6.29
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNS(=O)(=O)C2=C(C=C(C=C2)CO)Br

DOS

IR

Vibrations