Geometry & MOs

Info

ID:	395882
PubChem CID:	135026826
Reduced:	ON2C15H15 (2)
Stoich.:	AB2C15D15 (2)
Weight, g/mol:	621.327436
ΔH_f, kcal/mol:	71.66
Dipole, Da:	7.16
IP(EA), eV:	-8.1(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S,4S)-5-(benzylamino)-1,3,4-tris(phenylmethoxy)-8-trimethylsilyloct-7-yn-2-ol

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)NC5=C(C(=O)C5=O)NCC6=CC=CC=C6

DOS

IR

Vibrations