Geometry & MOs

Info

ID:	283045
PubChem CID:	103955620
Reduced:	BrNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	250.041213
ΔH_f, kcal/mol:	-83.33
Dipole, Da:	4.5
IP(EA), eV:	-9.0(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dihydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)NC(=O)C2=CC(=C(C=C2)O)O

DOS

IR

Vibrations