Geometry & MOs

Info

ID:	277452
PubChem CID:	103828626
Reduced:	F2N3O3C13H13 (1)
Stoich.:	A2B3C3D13E13 (1)
Weight, g/mol:	291.037685
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	5.25
IP(EA), eV:	-9.34(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,6-difluoro-4-nitrophenyl)sulfanyl-2-methylpropanoate

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)NC2=C(C=C(C=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations