Geometry & MOs

Info

ID:	159525
PubChem CID:	57288416
Reduced:	FNSO3C22H22 (1)
Stoich.:	ABCD3E22F22 (1)
Weight, g/mol:	193.048741
ΔH_f, kcal/mol:	-104.99
Dipole, Da:	4.74
IP(EA), eV:	-8.56(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(carboxymethyl)-2-(diazonioamino)phenolate

Drug info:

PubChemData

Smile

CC(C(C1=CC(=C(C=C1)OC)F)SC2=C(C=CC(=C2)OC3=CC=CC=C3)N)O

DOS

IR

Vibrations