Geometry & MOs

Info

ID:	403928
PubChem CID:	135062662
Reduced:	O3C10H13 (2)
Stoich.:	A3B10C13 (2)
Weight, g/mol:	380.163517
ΔH_f, kcal/mol:	-241.54
Dipole, Da:	2.66
IP(EA), eV:	-8.92(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,5S,6S,6aR)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-[(E)-2-(4-fluorophenyl)ethenoxy]-2,2-dimethyl-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(OC[C@H](O1)[C@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O/C=C/C4=CC=CC=C4)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(OC[C@H](O1)[C@H]2[C@@H]([C@@H]3[C@H](O2)OC(O3)(C)C)O/C=C/C4=CC=CC=C4)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):