Geometry & MOs

Info

ID:	230731
PubChem CID:	87571768
Reduced:	N2F6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	776.327308
ΔH_f, kcal/mol:	-280.91
Dipole, Da:	2.52
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R,6R)-2-[[4-[(2,3-difluoro-4-methylphenyl)methyl]-5-methyl-1H-pyrazol-3-yl]oxy]-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

Drug info:

PubChemData

Smile

CN1CC2C(C1)C2CNCC3=CC(=CC=C3)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations