Geometry & MOs

Info

ID:	171451
PubChem CID:	75378911
Reduced:	SCl2N6H8C11 (1)
Stoich.:	AB2C6D8E11 (1)
Weight, g/mol:	283.1606
ΔH_f, kcal/mol:	135.53
Dipole, Da:	7.35
IP(EA), eV:	-8.92(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,5-dimethylcyclohexyl)ethylsulfinylmethyl]-3-methyl-1,2-oxazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NCC2=C(SN=N2)Cl)Cl)N3C=NC=N3

DOS

IR

Vibrations