Geometry & MOs

Info

ID:	199342
PubChem CID:	79232485
Reduced:	SN4O4C12H18 (1)
Stoich.:	AB4C4D12E18 (1)
Weight, g/mol:	310.098728
ΔH_f, kcal/mol:	-83.56
Dipole, Da:	5.68
IP(EA), eV:	-9.87(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNS(=O)(=O)C2=CN(N=C2)CCCO

DOS

IR

Vibrations