Geometry & MOs

Info

ID:	399185
PubChem CID:	135038547
Reduced:	SO6C13H20 (1)
Stoich.:	AB6C13D20 (1)
Weight, g/mol:	234.060469
ΔH_f, kcal/mol:	-266.09
Dipole, Da:	6.64
IP(EA), eV:	-10.19(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-fluoro-4-(4-fluorophenyl)iminocyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC(C(C[C@@H](C)O)O)O

DOS

IR

Vibrations