Geometry & MOs

Info

ID:

147955

PubChem CID:

53787616

Reduced:

S2O7H14C20 (1)

Stoich.:

A2B7C14D20 (1)

Weight, g/mol:

536.422946

ΔHf, kcal/mol:

-206.86

Dipole, Da:

2.57

IP(EA), eV:

 -8.98(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(10S,13R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl] hydrogen carbonate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2OS(=O)(=O)C3=CC=C(C4=CC=CC=C43)O)S(=O)(=O)O

DOS

IR

Vibrations