Geometry & MOs

Info

ID:	17033
PubChem CID:	482629
Reduced:	BrSN3O3H24C26 (1)
Stoich.:	ABC3D3E24F26 (1)
Weight, g/mol:	537.07218
ΔH_f, kcal/mol:	5.31
Dipole, Da:	4.62
IP(EA), eV:	-8.01(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-[3-cyclohexyl-2-[(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazol-4-yl]chromen-2-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C=NN=C2N(C(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)C5CCCCC5

DOS

IR

Vibrations