Geometry & MOs

Info

ID:	433186
PubChem CID:	135173323
Reduced:	SO3N7C19H23 (1)
Stoich.:	AB3C7D19E23 (1)
Weight, g/mol:	254.079908
ΔH_f, kcal/mol:	-26.21
Dipole, Da:	2.78
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-methylphenyl)sulfanyloxymethyl]thiane

Drug info:

PubChemData

Smile

C[C@H]1COCC2=NC3=C(N12)C=C(C=C3)C4=CN=C(N=C4)N5CCN(CC5)S(=O)(=O)N

DOS

IR

Vibrations