Geometry & MOs

Info

ID:	407249
PubChem CID:	135079642
Reduced:	BrPO3S3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	229.9491
ΔH_f, kcal/mol:	-134.98
Dipole, Da:	2.46
IP(EA), eV:	-8.8(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-7-fluoro-1,2-benzoxazol-3-amine

Drug info:

PubChemData

Smile

CCOP(=O)(CCCCC1=CC=C(S1)C2=CC=C(S2)C3=CC=C(S3)Br)OCC

DOS

IR

Vibrations