Geometry & MOs

Info

ID:	403934
PubChem CID:	135062672
Reduced:	FO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	502.235539
ΔH_f, kcal/mol:	-293.0
Dipole, Da:	2.91
IP(EA), eV:	-8.92(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,6S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-6-[(E)-2-phenylethenoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

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

CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO/C=C/C4=CC=C(C=C4)F)C

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

CC1(O[C@H]2[C@H](O[C@H]3[C@@H]([C@H]2O1)OC(O3)(C)C)CO/C=C/C4=CC=C(C=C4)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):