Geometry & MOs

Info

ID:	137397
PubChem CID:	52204145
Reduced:	ClSN2O3H15C17 (1)
Stoich.:	ABC2D3E15F17 (1)
Weight, g/mol:	361.053942
ΔH_f, kcal/mol:	-26.13
Dipole, Da:	5.29
IP(EA), eV:	-9.66(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-chlorophenyl)methylsulfonylmethyl]-5-methyl-2-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NOC(=N2)CS(=O)(=O)CC3=CC(=CC=C3)Cl

DOS

IR

Vibrations