Geometry & MOs

Info

ID:	395397
PubChem CID:	135025367
Reduced:	NO6C35H35 (1)
Stoich.:	AB6C35D35 (1)
Weight, g/mol:	390.298548
ΔH_f, kcal/mol:	-113.75
Dipole, Da:	4.56
IP(EA), eV:	-9.4(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]octan-3-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC[C@]23[C@H](O2)[C@@H]([C@H]([C@H]3OCC4=CC=CC=C4)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations