Geometry & MOs

Info

ID:	332544
PubChem CID:	127250830
Reduced:	FSO3N5C21H24 (1)
Stoich.:	ABC3D5E21F24 (1)
Weight, g/mol:	446.117939
ΔH_f, kcal/mol:	-81.14
Dipole, Da:	3.93
IP(EA), eV:	-8.77(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC)C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)F

DOS

IR

Vibrations