Geometry & MOs

Info

ID:	227930
PubChem CID:	87563060
Reduced:	NO7C9H15 (1)
Stoich.:	AB7C9D15 (1)
Weight, g/mol:	493.181313
ΔH_f, kcal/mol:	-310.05
Dipole, Da:	5.72
IP(EA), eV:	-10.55(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[3-[(2R)-1-(2,6-difluorophenyl)propan-2-yl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]-4-(2-methoxy-2,3-dihydro-1H-inden-5-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

CCC(=O)C(=O)O.C(CC(=O)O)[C@@H](C(=O)O)N

DOS

IR

Vibrations