Geometry & MOs

Info

ID:	230947
PubChem CID:	87572306
Reduced:	SN3O3F4H17C20 (1)
Stoich.:	AB3C3D4E17F20 (1)
Weight, g/mol:	130.062994
ΔH_f, kcal/mol:	-213.09
Dipole, Da:	9.04
IP(EA), eV:	-9.11(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxopentan-2-yl formate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)C(F)(F)F)/C=C\C(=O)NCC2=CC(=C(C(=C2)F)NS(=O)(=O)C)C#C

DOS

IR

Vibrations