Geometry & MOs

Info

ID:	85102
PubChem CID:	49871766
Reduced:	ON4F6H18C20 (1)
Stoich.:	AB4C6D18E20 (1)
Weight, g/mol:	487.348171
ΔH_f, kcal/mol:	-261.68
Dipole, Da:	2.27
IP(EA), eV:	-9.48(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,5R)-2-but-3-enyl-5-[7-[tert-butyl(dimethyl)silyl]oxyheptyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CC1(CC2=CN=C(N2)C[C@](C3=CC=C(C=C3)N4C=CC=N4)(C(F)(F)F)O)C(F)(F)F

DOS

IR

Vibrations