Geometry & MOs

Info

ID:	15765
PubChem CID:	449716
Reduced:	FO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	343.181307
ΔH_f, kcal/mol:	-132.24
Dipole, Da:	2.27
IP(EA), eV:	-8.57(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,11S,13S,14S,16R,17R)-17-ethynyl-16-(18F)fluoranyl-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol

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

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)[18F])CCC4=C3C=CC(=C4)O)OC

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

C[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)[18F])CCC4=C3C=CC(=C4)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):