Geometry & MOs

Info

ID:	277694
PubChem CID:	103830426
Reduced:	BrNO3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	347.95681
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	4.9
IP(EA), eV:	-8.62(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-4-bromo-3-hydroxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations