Geometry & MOs

Info

ID:	54609
PubChem CID:	17388982
Reduced:	BrO2S2N3C23H30 (1)
Stoich.:	AB2C2D3E23F30 (1)
Weight, g/mol:	520.1184
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	6.4
IP(EA), eV:	-8.42(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-cyclohexylphenyl)-3-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCN1C(=CSC1=NC2=CC(=C(C=C2)C)C)C3=CC=C(C=C3)S(=O)(=O)N(CC)CC.Br

DOS

IR

Vibrations