Geometry & MOs

Info

ID:	194542
PubChem CID:	78552947
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	356.155849
ΔH_f, kcal/mol:	6.94
Dipole, Da:	3.37
IP(EA), eV:	-9.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-tert-butylphenyl)sulfanylpropanoylamino]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C#N)SC2=CC=C(C=C2)C(C)(C)C

DOS

IR

Vibrations