Geometry & MOs

Info

ID:

160509

PubChem CID:

57309857

Reduced:

N5O5H23C25 (1)

Stoich.:

A5B5C23D25 (1)

Weight, g/mol:

188.968499

ΔHf, kcal/mol:

-80.9

Dipole, Da:

4.41

IP(EA), eV:

-9.62(-1.15)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(ethylsulfonylamino)methyl thiohypochlorite

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC(=O)N1CC2=CC(=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(=O)O

DOS

IR

Vibrations