Geometry & MOs

Info

ID:	36478
PubChem CID:	8007361
Reduced:	SO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	316.142307
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	6.92
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.859569
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-2-methoxyphenoxy)-N-(1-cyanocyclopentyl)acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CC2=NN=C(O2)SCC(=O)NC3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations