Geometry & MOs

Info

ID:	402408
PubChem CID:	135055862
Reduced:	FON3C24H28 (1)
Stoich.:	ABC3D24E28 (1)
Weight, g/mol:	335.209658
ΔH_f, kcal/mol:	36.59
Dipole, Da:	2.04
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-4-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-methyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/C2=CC=CC=C2F)/C3=CN(N=C3)OCCCN(C)C

DOS

IR

Vibrations