Geometry & MOs

Info

ID:	49657
PubChem CID:	11533483
Reduced:	ClNF3O3H25C27 (1)
Stoich.:	ABC3D3E25F27 (1)
Weight, g/mol:	292.011406
ΔH_f, kcal/mol:	-216.08
Dipole, Da:	6.32
IP(EA), eV:	-9.15(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-chloro-8-methyl-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1O[C@H](C(=C2)C(=O)O)C(F)(F)F)Cl.C[C@H](C1=CC=CC=C1)NCC2=CC=CC=C2

DOS

IR

Vibrations