Geometry & MOs

Info

ID:	170017
PubChem CID:	75182491
Reduced:	ClSN2O2H15C18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	484.205695
ΔH_f, kcal/mol:	-11.12
Dipole, Da:	1.64
IP(EA), eV:	-9.02(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine;2,3,4,5-tetrahydroxyhexanedioic acid

Drug info:

PubChemData

Smile

CCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)O)Cl)S1)C3=CC=CC=C3

DOS

IR

Vibrations