Geometry & MOs

Info

ID:	15763
PubChem CID:	449712
Reduced:	IO3C21H27 (1)
Stoich.:	AB3C21D27 (1)
Weight, g/mol:	450.10161
ΔH_f, kcal/mol:	-111.77
Dipole, Da:	1.61
IP(EA), eV:	-8.82(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,11S,13S,14S,17R)-17-(2-(123I)iodanylethenyl)-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]1CC[C@]2(C=C[123I])O)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]1CC[C@]2(C=C[123I])O)CCC4=C3C=CC(=C4)O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):