Geometry & MOs

Info

ID:

427238

PubChem CID:

135156363

Reduced:

SN4O5C41H47 (1)

Stoich.:

AB4C5D41E47 (1)

Weight, g/mol:

327.033146

ΔHf, kcal/mol:

-120.1

Dipole, Da:

11.75

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.457568

Charge, e:

 0

Chem-info

IUPAC name:

potassium;1,2,4-trimethylbenzo[e]indole-1-sulfonate

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCCNC(=O)C1=CC=C(C=C1)/C(=C\C=C\2/C(C3=C(N2C)C=CC(=C3)S(=O)(=O)O)(C)C)/C=C/C4=[N+](C5=CC=CC=C5C4(C)C)C

DOS

IR

Vibrations