Geometry & MOs

Info

ID:	444555
PubChem CID:	135262847
Reduced:	O3N6C25H34 (1)
Stoich.:	A3B6C25D34 (1)
Weight, g/mol:	328.160935
ΔH_f, kcal/mol:	-47.9
Dipole, Da:	5.69
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-N-[(2,4-dimethylphenyl)-(6-methylpyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

C[C@@H]1COCCN1C2=NC(=NC(=C2)N3C4=C(C=C(C(=C4)C5CCN(CC5)CCO)C)C=N3)OC

DOS

IR

Vibrations