Geometry & MOs

Info

ID:	352936
PubChem CID:	127284026
Reduced:	SN2O3C20H28 (1)
Stoich.:	AB2C3D20E28 (1)
Weight, g/mol:	238.088832
ΔH_f, kcal/mol:	-104.34
Dipole, Da:	6.26
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylidene-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N3CCC(=C)CC3

DOS

IR

Vibrations