Geometry & MOs

Info

ID:	427239
PubChem CID:	135156377
Reduced:	KNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	289.077265
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	8.24
IP(EA), eV:	-8.65(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2,4-trimethylbenzo[e]indole-1-sulfonic acid

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=C1N=C(C3(C)S(=O)(=O)[O-])C.[K+]

DOS

IR

Vibrations