Geometry & MOs

Info

ID:	32961
PubChem CID:	7849706
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	322.067508
ΔH_f, kcal/mol:	-153.47
Dipole, Da:	4.66
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-fluorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)/C=C/C2=CC=CC=C2C

DOS

IR

Vibrations