Geometry & MOs

Info

ID:	194566
PubChem CID:	78556994
Reduced:	FNO4H16C17 (1)
Stoich.:	ABC4D16E17 (1)
Weight, g/mol:	311.082744
ΔH_f, kcal/mol:	-170.19
Dipole, Da:	5.38
IP(EA), eV:	-8.69(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=CC=C1)OC)OC(=O)C2=CC=CC=C2F

DOS

IR

Vibrations