Geometry & MOs

Info

ID:	24487
PubChem CID:	610584
Reduced:	N2F4O6H8C11 (1)
Stoich.:	A2B4C6D8E11 (1)
Weight, g/mol:	340.031849
ΔH_f, kcal/mol:	-342.14
Dipole, Da:	3.64
IP(EA), eV:	-10.46(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-5-[(2,3,3,3-tetrafluoro-2-methoxypropanoyl)amino]benzoic acid

Drug info:

PubChemData

Smile

COC(C(=O)NC1=CC(=CC(=C1)C(=O)O)[N+](=O)[O-])(C(F)(F)F)F

DOS

IR

Vibrations