Geometry & MOs

Info

ID:	54594
PubChem CID:	17388959
Reduced:	S2N3O3C14H17 (1)
Stoich.:	A2B3C3D14E17 (1)
Weight, g/mol:	510.09766
ΔH_f, kcal/mol:	-89.39
Dipole, Da:	3.54
IP(EA), eV:	-8.59(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-ethoxyphenyl)imino-4-(4-phenylphenyl)-1,3-thiazol-3-yl]propan-1-ol;hydrobromide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=C2C(=O)N)NC(=O)C(=S)N3CCOCC3

DOS

IR

Vibrations