Geometry & MOs

Info

ID:	2413
PubChem CID:	7384
Reduced:	NSO3C7H9 (1)
Stoich.:	ABC3D7E9 (1)
Weight, g/mol:	187.030314
ΔH_f, kcal/mol:	-112.86
Dipole, Da:	7.47
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)O)N

DOS

IR

Vibrations