Geometry & MOs

Info

ID:	73687
PubChem CID:	48420016
Reduced:	ClNSO3C15H16 (1)
Stoich.:	ABCD3E15F16 (1)
Weight, g/mol:	305.108565
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	4.91
IP(EA), eV:	-9.42(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-(3-methylbut-2-enylsulfonylmethyl)-2-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC(=CCS(=O)(=O)CC1=COC(=N1)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations