Geometry & MOs

Info

ID:	404762
PubChem CID:	135070602
Reduced:	FS2O5C20H21 (1)
Stoich.:	AB2C5D20E21 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	2.1
IP(EA), eV:	-9.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3S)-2-(benzylamino)-3-cyano-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CCC(=O)CC(C1)C(F)(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations