Geometry & MOs

Info

ID:	391972
PubChem CID:	135011514
Reduced:	ON4H28C38 (1)
Stoich.:	AB4C28D38 (1)
Weight, g/mol:	386.202799
ΔH_f, kcal/mol:	249.28
Dipole, Da:	1.97
IP(EA), eV:	-8.42(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(dibutylamino)-(4-methylphenyl)-oxo-lambda6-sulfanylidene]benzamide

Drug info:

PubChemData

Smile

COC1(C2=CC=C(N2)/C(=C/3\N=C(C4=N/C(=C(\C5=CC=C1N5)/C6=CC=CC=C6)/C=C4)C=C3)/C7=CC=CC=C7)C8=CC=CC=C8

DOS

IR

Vibrations