Geometry & MOs

Info

ID:	317713
PubChem CID:	126645328
Reduced:	SN2O6C15H20 (1)
Stoich.:	AB2C6D15E20 (1)
Weight, g/mol:	395.134443
ΔH_f, kcal/mol:	-202.02
Dipole, Da:	1.34
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]phenyl]azetidine-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CS(CCC1CN2C(=O)COC3=C2C=C(C=C3)C(=O)NO)(O)O

DOS

IR

Vibrations