Geometry & MOs

Info

ID:

230088

PubChem CID:

87570105

Reduced:

ClN4H11C13 (1)

Stoich.:

AB4C11D13 (1)

Weight, g/mol:

674.209815

ΔHf, kcal/mol:

96.88

Dipole, Da:

7.32

IP(EA), eV:

 -8.85(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC(=CC(=C1)C2=NC(=NC=C2)Cl)C#N

DOS

IR

Vibrations