Geometry & MOs

Info

ID:	228905
PubChem CID:	87566177
Reduced:	FO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	286.014724
ΔH_f, kcal/mol:	-127.24
Dipole, Da:	6.45
IP(EA), eV:	-8.85(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(4-methylphenyl)sulfonyloxybut-2-enedioic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=C1)NC(=O)NCC2=CC(=CC(=C2)F)OC3CCCN(C3)C=O

DOS

IR

Vibrations