Geometry & MOs

Info

ID:	37718
PubChem CID:	8023568
Reduced:	SO2N4H18C22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	333.095413
ΔH_f, kcal/mol:	62.36
Dipole, Da:	4.54
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1[C@H](N(C2=CC=CC=C2O1)C(=O)CSC3=NN=C4N3C=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations