Geometry & MOs

Info

ID:	373668
PubChem CID:	131318492
Reduced:	BrClNSF3O3H4C7 (1)
Stoich.:	ABCDE3F3G4H7 (1)
Weight, g/mol:	278.93924
ΔH_f, kcal/mol:	-262.38
Dipole, Da:	2.69
IP(EA), eV:	-10.36(-2.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-hydroxy-2-iodobenzoic acid

Drug info:

PubChemData

Smile

CC1=C(N=C(C=C1S(=O)(=O)Cl)OC(F)(F)F)Br

DOS

IR

Vibrations