Geometry & MOs

Info

ID:	234415
PubChem CID:	92298391
Reduced:	O5C25H36 (1)
Stoich.:	A5B25C36 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	4.26
IP(EA), eV:	-9.4(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@@]1(CC/C(=C/CCC2=CC[C@@H](O[C@@H]2O)C3=CC(=O)O[C@@H]3O)/C)C(=C)C

DOS

IR

Vibrations