Geometry & MOs

Info

ID:	372003
PubChem CID:	131285782
Reduced:	BrSH2O2N3C5 (1)
Stoich.:	ABC2D2E3F5 (1)
Weight, g/mol:	312.85992
ΔH_f, kcal/mol:	59.38
Dipole, Da:	3.7
IP(EA), eV:	-9.54(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-bromo-5-iodophenol

Drug info:

PubChemData

Smile

C1=C(N2C=C(SC2=N1)[N+](=O)[O-])Br

DOS

IR

Vibrations