Geometry & MOs

Info

ID:	143100
PubChem CID:	53145843
Reduced:	FSO2N4H19C20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	412.102768
ΔH_f, kcal/mol:	-37.18
Dipole, Da:	5.6
IP(EA), eV:	-8.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-2-(6-thiomorpholin-4-ylpyridin-3-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations