Geometry & MOs

Info

ID:	165176
PubChem CID:	74511613
Reduced:	ClSF2N2O3H17C19 (1)
Stoich.:	ABC2D2E3F17G19 (1)
Weight, g/mol:	410.190223
ΔH_f, kcal/mol:	-149.51
Dipole, Da:	6.36
IP(EA), eV:	-9.51(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-methylphenyl)-N-[2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C=CC2=CC=CC=C2Cl)S(=O)(=O)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations