Geometry & MOs

Info

ID:	159662
PubChem CID:	57288597
Reduced:	ClFNSO2C11H13 (1)
Stoich.:	ABCDE2F11G13 (1)
Weight, g/mol:	728.232106
ΔH_f, kcal/mol:	-137.91
Dipole, Da:	4.11
IP(EA), eV:	-8.8(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[1-benzyl-4-[3-(trifluoromethyl)phenoxy]pyrrolidin-3-yl] oxalate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C(C1=CC(=C(C=C1Cl)F)N)S

DOS

IR

Vibrations