Geometry & MOs

Info

ID:	81594
PubChem CID:	49854900
Reduced:	FNO6C19H24 (1)
Stoich.:	ABC6D19E24 (1)
Weight, g/mol:	285.074956
ΔH_f, kcal/mol:	-305.17
Dipole, Da:	6.65
IP(EA), eV:	-9.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-2-hydroxy-4-[(5E)-5-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C)[C@H](CC(=O)OCC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)CF

DOS

IR

Vibrations