Geometry & MOs

Info

ID:	342012
PubChem CID:	127264705
Reduced:	ClSN3O3C13H16 (1)
Stoich.:	ABC3D3E13F16 (1)
Weight, g/mol:	298.088832
ΔH_f, kcal/mol:	-79.32
Dipole, Da:	9.04
IP(EA), eV:	-9.19(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-morpholin-4-yl-1,3-thiazol-5-yl)ethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)S(=O)(=O)NCC2=NC=C(N2C)Cl

DOS

IR

Vibrations