Geometry & MOs

Info

ID:	283301
PubChem CID:	103972405
Reduced:	NSO4C10H13 (1)
Stoich.:	ABC4D10E13 (1)
Weight, g/mol:	296.142387
ΔH_f, kcal/mol:	-151.02
Dipole, Da:	3.11
IP(EA), eV:	-9.4(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl 2-[(2-fluorophenyl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(C(=O)OC)C(=O)OC

DOS

IR

Vibrations