Geometry & MOs

Info

ID:	131474
PubChem CID:	51210885
Reduced:	SN3O3C18H19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	342.140199
ΔH_f, kcal/mol:	-37.26
Dipole, Da:	4.92
IP(EA), eV:	-9.13(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=CC=CC=C2C(=O)NNC(=O)C3=CN=CC=C3

DOS

IR

Vibrations