Geometry & MOs

Info

ID:	145279
PubChem CID:	53492019
Reduced:	O5N7C28H35 (1)
Stoich.:	A5B7C28D35 (1)
Weight, g/mol:	436.076075
ΔH_f, kcal/mol:	-110.59
Dipole, Da:	7.28
IP(EA), eV:	-8.63(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2'-(5-chloropyridin-3-yl)-7'-methoxy-3-methylspiro[imidazole-5,9'-thioxanthene]-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CCCOC2=C(C3=C(C=C2)C4=NCCN4C(=N3)NC(=O)C5=CN=C(C=C5)NC(=O)C)OC

DOS

IR

Vibrations