Geometry & MOs

Info

ID:	160011
PubChem CID:	57304379
Reduced:	NO2C27H33 (1)
Stoich.:	AB2C27D33 (1)
Weight, g/mol:	200.001754
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	7.5
IP(EA), eV:	-9.05(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-amino-2-carboxybenzenesulfinate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(=NCCC(C)C)CCC2(C)C

DOS

IR

Vibrations