Geometry & MOs

Info

ID:	372205
PubChem CID:	131294350
Reduced:	BrSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-68.4
Dipole, Da:	6.23
IP(EA), eV:	-8.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-2-cyclohexyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1C=CC(=O)O)C(=CS2)Br)O

DOS

IR

Vibrations