Geometry & MOs

Info

ID:	402440
PubChem CID:	135055963
Reduced:	IO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	483.166886
ΔH_f, kcal/mol:	-68.9
Dipole, Da:	5.96
IP(EA), eV:	-9.45(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3S)-2-benzoyl-2-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1(CC(=O)O[C@](C1)(CI)C2=CC=CC=C2)C

DOS

IR

Vibrations