Geometry & MOs

Info

ID:	372470
PubChem CID:	131298180
Reduced:	BrNSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	309.95022
ΔH_f, kcal/mol:	25.64
Dipole, Da:	5.12
IP(EA), eV:	-9.18(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-fluoro-4-hydroxy-6-iodophenyl)acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1SC(=C2)[N+](=O)[O-])CBr

DOS

IR

Vibrations