Geometry & MOs

Info

ID:	84799
PubChem CID:	49869980
Reduced:	NF3O6H12C19 (1)
Stoich.:	AB3C6D12E19 (1)
Weight, g/mol:	407.061672
ΔH_f, kcal/mol:	-345.4
Dipole, Da:	12.13
IP(EA), eV:	-9.98(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-hydroxy-4-oxo-8-[4-(trifluoromethyl)phenyl]chromene-3-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=CC3=C2OC(=C(C3=O)C(=O)NCC(=O)O)O

DOS

IR

Vibrations