Geometry & MOs

Info

ID:	61657
PubChem CID:	26711542
Reduced:	N2O3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	288.093249
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.255428
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxypyridin-3-yl)-2-(2-methylphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)COC2=CC=CC=C2OC

DOS

IR

Vibrations