Geometry & MOs

Info

ID:	174985
PubChem CID:	75842008
Reduced:	ClFSN2O3C17H18 (1)
Stoich.:	ABCD2E3F17G18 (1)
Weight, g/mol:	352.205873
ΔH_f, kcal/mol:	-149.87
Dipole, Da:	2.92
IP(EA), eV:	-9.72(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[1-[1-(3,5-dimethylpiperidin-1-ium-1-yl)propan-2-ylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC(C)C2=CC(=C(C=C2)F)Cl)NS(=O)(=O)C

DOS

IR

Vibrations