Geometry & MOs

Info

ID:	28056
PubChem CID:	825352
Reduced:	NO2H17C22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	313.150036
ΔH_f, kcal/mol:	45.16
Dipole, Da:	3.26
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[2-(4-methylphenyl)sulfanylphenyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]2C=CC3=CC=CC=C3N2OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations