Geometry & MOs

Info

ID:	56656
PubChem CID:	17504731
Reduced:	ClN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	453.152241
ΔH_f, kcal/mol:	-105.72
Dipole, Da:	3.09
IP(EA), eV:	-8.66(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-fluorophenyl)-2-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCC2CCN(CC2)C(=O)CNC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations