Geometry & MOs

Info

ID:	156844
PubChem CID:	56394699
Reduced:	O2S2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	425.157326
ΔH_f, kcal/mol:	-2.99
Dipole, Da:	4.5
IP(EA), eV:	-8.23(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCC(CC2)NC(=O)CC3=CSC(=N3)C4=CSC=C4

DOS

IR

Vibrations