Geometry & MOs

Info

ID:	386159
PubChem CID:	134980938
Reduced:	CrNSO6H17C20 (1)
Stoich.:	ABCD6E17F20 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	60.78
Dipole, Da:	8.11
IP(EA), eV:	-7.59(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-5-(2-methylphenyl)-4-(4-methylphenyl)sulfonyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[C@@H]2[C@H](OC=N2)C3=CC=CC=C3C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]

DOS

IR

Vibrations