Geometry & MOs

Info

ID:	396131
PubChem CID:	135027515
Reduced:	ClNO3H24C31 (1)
Stoich.:	ABC3D24E31 (1)
Weight, g/mol:	696.46367
ΔH_f, kcal/mol:	-1.02
Dipole, Da:	2.96
IP(EA), eV:	-8.79(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R,3S,5R,6R)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methoxy-2,6-dimethyl-5-triethylsilyloxynonanoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2[C@H]([C@@]23C4=C(C=CC(=C4)Cl)N(C3=O)CC5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations