Geometry & MOs

Info

ID:	380283
PubChem CID:	134970688
Reduced:	NSiF3O3C31H44 (1)
Stoich.:	ABC3D3E31F44 (1)
Weight, g/mol:	488.231122
ΔH_f, kcal/mol:	-316.11
Dipole, Da:	2.75
IP(EA), eV:	-8.82(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-2,3,5-tris(phenylmethoxy)-1-(1H-pyrazol-5-yl)pentane-1,4-diol

Drug info:

PubChemData

Smile

CC(C)[Si](C(C)C)(C(C)C)O[C@H]([C@H]1CCCCN1C(=O)[C@](C2=CC=CC=C2)(C(F)(F)F)OC)C3=CC=CC=C3

DOS

IR

Vibrations