Geometry & MOs

Info

ID:	192367
PubChem CID:	78261550
Reduced:	SN3O3C22H23 (1)
Stoich.:	AB3C3D22E23 (1)
Weight, g/mol:	261.106159
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	6.46
IP(EA), eV:	-9.34(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-amino-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazol-3-ium-2-one

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)N2C4=NN=CS4)OC5CCCCC5C3=O

DOS

IR

Vibrations