Geometry & MOs

Info

ID:	227750
PubChem CID:	87562381
Reduced:	ClN2O4H29C30 (1)
Stoich.:	AB2C4D29E30 (1)
Weight, g/mol:	226.066365
ΔH_f, kcal/mol:	-49.89
Dipole, Da:	3.11
IP(EA), eV:	-8.82(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethylsulfanyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarbaldehyde

Drug info:

PubChemData

Smile

C1CCOC(C1)OC(=O)C2=CC(=NC(=C2)Cl)C3=CC=C(C=C3)C#CC4=CC=C(C=C4)CN5CCOCC5

DOS

IR

Vibrations