Geometry & MOs

Info

ID:

165815

PubChem CID:

74600834

Reduced:

S2N5O7C14H16 (1)

Stoich.:

A2B5C7D14E16 (1)

Weight, g/mol:

243.149738

ΔHf, kcal/mol:

-143.08

Dipole, Da:

2.45

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.054283

Charge, e:

 1

Chem-info

IUPAC name:

dimethyl-[(4-oxo-1,2,3,9-tetrahydrocarbazol-3-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOS(=O)C1=C(N=CC=C1)S(=O)(=O)N=C(NC2=NC(=CC(=N2)OC)OC)[O-]

DOS

IR

Vibrations