Geometry & MOs

Info

ID:	358569
PubChem CID:	127296258
Reduced:	SN2O5C17H22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	310.146347
ΔH_f, kcal/mol:	-169.44
Dipole, Da:	8.75
IP(EA), eV:	-8.85(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfinyl]-1-(2,6-dimethylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C(=O)CS(=O)C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations