Geometry & MOs

Info

ID:	122891
PubChem CID:	50825612
Reduced:	O3N5C24H33 (1)
Stoich.:	A3B5C24D33 (1)
Weight, g/mol:	469.158389
ΔH_f, kcal/mol:	-105.48
Dipole, Da:	3.43
IP(EA), eV:	-8.06(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-fluorophenoxy)acetyl]piperazin-1-yl]-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)C)N3CCC(CC3)C(=O)NCCN4CCOCC4

DOS

IR

Vibrations