Geometry & MOs

Info

ID:	331178
PubChem CID:	127248585
Reduced:	ClSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	446.117939
ΔH_f, kcal/mol:	-37.38
Dipole, Da:	0.92
IP(EA), eV:	-8.99(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations