Geometry & MOs

Info

ID:	323369
PubChem CID:	126674576
Reduced:	O2C11H13 (2)
Stoich.:	A2B11C13 (2)
Weight, g/mol:	520.054639
ΔH_f, kcal/mol:	-99.78
Dipole, Da:	2.45
IP(EA), eV:	-8.91(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[2-(2,2,2-trichloroethoxycarbonylamino)-4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC2CO2)C)C3=CC(=C(C(=C3)C)OC4CCO4)C

DOS

IR

Vibrations