Geometry & MOs

Info

ID:

144002

PubChem CID:

53297031

Reduced:

BrSO4N6H23C25 (1)

Stoich.:

ABC4D6E23F25 (1)

Weight, g/mol:

664.164814

ΔHf, kcal/mol:

14.88

Dipole, Da:

5.03

IP(EA), eV:

 -8.98(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

N-[4-[[3-(4-ethoxyphenyl)-4-oxo-5-[2-oxo-2-(4-sulfamoylanilino)ethyl]-2-sulfanylideneimidazolidin-1-yl]methyl]-3-methyloxadiazol-3-ium-5-yl]benzamide

Drug info:

PubChemData

Smile

C[N+]1=NOC(=C1CN2C(C(=O)N(C2=S)C3CC3)CC(=O)NC4=CC=C(C=C4)Br)/N=C(/C5=CC=CC=C5)\[O-]

DOS

IR

Vibrations