Geometry & MOs

Info

ID:	124331
PubChem CID:	50879175
Reduced:	BrClO2H8C12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	311.072848
ΔH_f, kcal/mol:	-33.45
Dipole, Da:	3.36
IP(EA), eV:	-9.54(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-methoxy-1,3-benzothiazol-2-yl)-5-methyl-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=CC=C(O2)C(=O)Cl

DOS

IR

Vibrations