Geometry & MOs

Info

ID:	29082
PubChem CID:	831476
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-42.15
Dipole, Da:	3.73
IP(EA), eV:	-9.78(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=C2C(=N1)C[C@@H](CC2=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations