Geometry & MOs

Info

ID:	66014
PubChem CID:	46488120
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	344.075012
ΔH_f, kcal/mol:	-67.56
Dipole, Da:	2.34
IP(EA), eV:	-9.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chlorophenyl)ethyl]-2-[(4-cyanophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CCCNC(=O)C1=CC=CC=C1N2C=CC=N2

DOS

IR

Vibrations