Geometry & MOs

Info

ID:	54604
PubChem CID:	17388973
Reduced:	BrClS2N3O3C28H29 (1)
Stoich.:	ABC2D3E3F28G29 (1)
Weight, g/mol:	516.14461
ΔH_f, kcal/mol:	-46.19
Dipole, Da:	2.71
IP(EA), eV:	-8.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)CC5=CC=C(C=C5)Cl.Br

DOS

IR

Vibrations