Geometry & MOs

Info

ID:	129348
PubChem CID:	51072335
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	312.161997
ΔH_f, kcal/mol:	-42.83
Dipole, Da:	5.2
IP(EA), eV:	-9.19(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Drug info:

PubChemData

Smile

COCCN1C=NN=C1SC2CCCCC2=O

DOS

IR

Vibrations