Geometry & MOs

Info

ID:	158697
PubChem CID:	56465060
Reduced:	N4O4H24C25 (1)
Stoich.:	A4B4C24D25 (1)
Weight, g/mol:	418.183875
ΔH_f, kcal/mol:	-33.94
Dipole, Da:	4.19
IP(EA), eV:	-9.63(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-2-[4-[4-methyl-2-(2-methylpropyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2CC2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)CC5=CC=CC=C5

DOS

IR

Vibrations