Geometry & MOs

Info

ID:	21839
PubChem CID:	591858
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	-72.49
Dipole, Da:	5.02
IP(EA), eV:	-9.12(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethylmorpholin-4-yl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=NC(=O)C(=CC3=CC(=CC=C3)O)S2

DOS

IR

Vibrations