Geometry & MOs

Info

ID:	349032
PubChem CID:	127274758
Reduced:	SN2O4C15H26 (1)
Stoich.:	AB2C4D15E26 (1)
Weight, g/mol:	396.173231
ΔH_f, kcal/mol:	-187.05
Dipole, Da:	3.03
IP(EA), eV:	-9.05(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzothiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COCC(=O)N1CCN(CC1)C(=O)CSCC2CCCCO2

DOS

IR

Vibrations