Geometry & MOs

Info

ID:	124871
PubChem CID:	50900494
Reduced:	NF2O6H15C16 (1)
Stoich.:	AB2C6D15E16 (1)
Weight, g/mol:	475.181787
ΔH_f, kcal/mol:	-302.8
Dipole, Da:	10.52
IP(EA), eV:	-9.74(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-3-[4-(trifluoromethyl)phenoxy]prop-2-enyl] 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)N1C=C(C(=O)C2=CC(=C(C(=C21)OC)F)F)C(=O)O

DOS

IR

Vibrations