Geometry & MOs

Info

ID:	143099
PubChem CID:	53145842
Reduced:	FSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	398.121275
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	7.53
IP(EA), eV:	-8.71(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-4-methylphenyl)-2-(6-morpholin-4-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2=CSC(=N2)C3=CN=C(C=C3)N4CCOCC4)F

DOS

IR

Vibrations