Geometry & MOs

Info

ID:

296807

PubChem CID:

117594074

Reduced:

NO7C36H41 (1)

Stoich.:

AB7C36D41 (1)

Weight, g/mol:

667.114052

ΔHf, kcal/mol:

-252.01

Dipole, Da:

3.01

IP(EA), eV:

 -8.77(-1.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;2-(2,6-dichloro-3-methylanilino)benzoate;2-(7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl)propan-2-yl benzoate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)N)C.C1C2=CC(=O)C(=CC2=C3C1(COC4=C3C=CC(=C4O)O)O)O

DOS

IR

Vibrations