Geometry & MOs

Info

ID:	326091
PubChem CID:	126686428
Reduced:	NNaCl2O6H16C23 (1)
Stoich.:	ABC2D6E16F23 (1)
Weight, g/mol:	502.244327
ΔH_f, kcal/mol:	-169.7
Dipole, Da:	17.68
IP(EA), eV:	-8.1(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-[(E)-[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxyiminomethyl]-2-ethylphenyl]methyl]azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1COC2=CC(=C(C=C2C1C(=O)[O-])Cl)OC3=CC=C(C=C3)C(=O)N(C4=CC=C(C=C4)Cl)O.[Na+]

DOS

IR

Vibrations