Geometry & MOs

Info

ID:	13472
PubChem CID:	234864
Reduced:	S2N3O4C26H31 (1)
Stoich.:	A2B3C4D26E31 (1)
Weight, g/mol:	513.175599
ΔH_f, kcal/mol:	-110.99
Dipole, Da:	5.46
IP(EA), eV:	-8.2(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-aminobenzenesulfonic acid;1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one

Drug info:

PubChemData

Smile

CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC(=C1)S(=O)(=O)O)N

DOS

IR

Vibrations