Geometry & MOs

Info

ID:	195239
PubChem CID:	78662582
Reduced:	O2N3H19C23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	68.29
Dipole, Da:	5.33
IP(EA), eV:	-9.3(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C=CCOC(=O)C(=CC1=CN(N=C1C2=CC=CC=C2)CC3=CC=CC=C3)C#N

DOS

IR

Vibrations