Geometry & MOs

Info

ID:	137539
PubChem CID:	52223051
Reduced:	FNSO3C18H22 (1)
Stoich.:	ABCD3E18F22 (1)
Weight, g/mol:	447.108006
ΔH_f, kcal/mol:	-131.55
Dipole, Da:	3.4
IP(EA), eV:	-9.57(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)OCCCNS(=O)(=O)CC2=CC=C(C=C2)F

DOS

IR

Vibrations