Geometry & MOs

Info

ID:	230019
PubChem CID:	87569882
Reduced:	O3C11H12 (2)
Stoich.:	A3B11C12 (2)
Weight, g/mol:	649.19458
ΔH_f, kcal/mol:	-229.7
Dipole, Da:	4.78
IP(EA), eV:	-8.66(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(8S,9R,10S,11S,13S,14S,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-(4-cyano-3-hydroxyphenoxy)benzoate

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

C1C2CC3CC1CC(C2)C3(C4=C(C(=C(C=C4)O)O)O)C5=C(C(=C(C=C5)O)O)O

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

C1C2CC3CC1CC(C2)C3(C4=C(C(=C(C=C4)O)O)O)C5=C(C(=C(C=C5)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):