Geometry & MOs

Info

ID:	180463
PubChem CID:	76637377
Reduced:	BeS2N3O3H29C30 (1)
Stoich.:	AB2C3D3E29F30 (1)
Weight, g/mol:	278.00291
ΔH_f, kcal/mol:	12.47
Dipole, Da:	13.1
IP(EA), eV:	-7.32(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(6-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

[Be+2].CC1=CC(=C(C(=C1)C2=[NH+]C3=CC=CC=C3S2)O)C.CC1=CC(=C(C(=C1)C2=NC3=CC=CC=C3S2)[O-])C.[NH2-].[OH-]

DOS

IR

Vibrations