Geometry & MOs

Info

ID:	141401
PubChem CID:	52874064
Reduced:	ClSO2N7C18H22 (1)
Stoich.:	ABC2D7E18F22 (1)
Weight, g/mol:	402.172562
ΔH_f, kcal/mol:	4.84
Dipole, Da:	8.05
IP(EA), eV:	-8.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)N4CCC[C@H](C4)CNS(=O)(=O)N

DOS

IR

Vibrations