Geometry & MOs

Info

ID:	230746
PubChem CID:	87571862
Reduced:	FN2O10C24H33 (1)
Stoich.:	AB2C10D24E33 (1)
Weight, g/mol:	774.331645
ΔH_f, kcal/mol:	-444.27
Dipole, Da:	7.26
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC1=C(C=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCOC1=C(C=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)OC)O)O)O)O)C(C)C)C)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):