Geometry & MOs

Info

ID:	32999
PubChem CID:	7850024
Reduced:	SN2O3H18C20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	394.029821
ΔH_f, kcal/mol:	-41.2
Dipole, Da:	3.24
IP(EA), eV:	-9.21(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,4,5,6-pentafluorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

DOS

IR

Vibrations