Geometry & MOs

Info

ID:	144809
PubChem CID:	53415839
Reduced:	SO3H14C15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	360.95371
ΔH_f, kcal/mol:	-63.92
Dipole, Da:	2.92
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2,4-difluorophenyl)iodanuidyl benzoate

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CCC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations