Geometry & MOs

Info

ID:	340435
PubChem CID:	127262446
Reduced:	N2S2O3C16H20 (1)
Stoich.:	A2B2C3D16E20 (1)
Weight, g/mol:	205.040879
ΔH_f, kcal/mol:	-84.14
Dipole, Da:	5.69
IP(EA), eV:	-8.81(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-methylbenzenesulfonic acid;hydrate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations