Geometry & MOs

Info

ID:

449513

PubChem CID:

135299190

Reduced:

P2S2N3O10C21H41 (1)

Stoich.:

A2B2C3D10E21F41 (1)

Weight, g/mol:

432.396731

ΔHf, kcal/mol:

-614.79

Dipole, Da:

5.53

IP(EA), eV:

 -9.35(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S,8R,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]phenanthrene-3,7-diol

Drug info:

PubChemData

Smile

COP(=S)(O)OC[C@@H]1CC(CN1C(=O)CCCCCN)OP(=O)(O)OC[C@@H]2C[C@H](CN2C(=O)CCCS)O

DOS

IR

Vibrations