Geometry & MOs

Info

ID:	173592
PubChem CID:	75658221
Reduced:	FOSN5C23H33 (1)
Stoich.:	ABCD5E23F33 (1)
Weight, g/mol:	372.210959
ΔH_f, kcal/mol:	-29.5
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.835392
Charge, e:	1

Chem-info

IUPAC name:

2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)-N-(1-piperidin-1-ium-1-ylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C[NH+]4CCCCC4)C

DOS

IR

Vibrations