Geometry & MOs

Info

ID:	141425
PubChem CID:	52876529
Reduced:	O3N6C20H26 (1)
Stoich.:	A3B6C20D26 (1)
Weight, g/mol:	443.142739
ΔH_f, kcal/mol:	-35.07
Dipole, Da:	5.3
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)CN2CCN(CC2)C(=O)C3=CN=C(C=C3)N4CCCC4

DOS

IR

Vibrations