Geometry & MOs

Info

ID:	78469
PubChem CID:	49689845
Reduced:	SCl2O2N4C17H18 (1)
Stoich.:	AB2C2D4E17F18 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	-33.92
Dipole, Da:	2.29
IP(EA), eV:	-9.93(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1,3-benzodioxol-5-yl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCC(CC2)CNC(=O)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations