Geometry & MOs

Info

ID:

326087

PubChem CID:

126686405

Reduced:

NNaCl3O5H23C31 (1)

Stoich.:

ABC3D5E23F31 (1)

Weight, g/mol:

595.072006

ΔHf, kcal/mol:

-128.79

Dipole, Da:

28.94

IP(EA), eV:

 -7.16(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-7-[4-[[2-chloro-4-(2-chlorophenyl)phenyl]-ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C2=CC=CC=C2Cl)Cl)C(=O)C3=CC=C(C=C3)OC4=C(C=C5C(CCOC5=C4)C(=O)[O-])Cl.[Na+]

DOS

IR

Vibrations