Geometry & MOs

Info

ID:	227506
PubChem CID:	87561883
Reduced:	OSN3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	476.165997
ΔH_f, kcal/mol:	37.91
Dipole, Da:	3.28
IP(EA), eV:	-8.8(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-[3-[(2S)-1-(2,6-difluorophenyl)propan-2-yl]-4-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene]-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one

Drug info:

PubChemData

Smile

COCC1=CC(=CN=C1)C2=CC3=C(C=C2)N=C(S3)N

DOS

IR

Vibrations