Geometry & MOs

Info

ID:	188372
PubChem CID:	77705848
Reduced:	N2F3O3C33H37 (1)
Stoich.:	A2B3C3D33E37 (1)
Weight, g/mol:	390.024651
ΔH_f, kcal/mol:	-194.19
Dipole, Da:	7.43
IP(EA), eV:	-8.72(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;7-benzyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC4=C(C=C(C=C4)C5=CC=CC=C5OC(F)(F)F)[N+](=O)[O-])C

DOS

IR

Vibrations