Geometry & MOs

Info

ID:	26864
PubChem CID:	800495
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	292.043712
ΔH_f, kcal/mol:	-93.03
Dipole, Da:	5.33
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H](C)NC(=O)C2CCCC2

DOS

IR

Vibrations