Geometry & MOs

Info

ID:	133061
PubChem CID:	51470936
Reduced:	SO2N5C27H41 (1)
Stoich.:	AB2C5D27E41 (1)
Weight, g/mol:	428.183498
ΔH_f, kcal/mol:	-89.47
Dipole, Da:	3.58
IP(EA), eV:	-8.51(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4Z)-2-(1H-benzimidazol-2-yl)-4-[[2-(1H-imidazol-3-ium-5-yl)ethylamino]methylidene]-5-(4-methoxyphenyl)pyrazol-3-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2C(=O)C3CCCCC3N4C2=NN=C4SCC(=O)N5CCCC6C5CCCC6

DOS

IR

Vibrations