Geometry & MOs

Info

ID:

449934

PubChem CID:

135302689

Reduced:

SP2N3O11C24H47 (1)

Stoich.:

AB2C3D11E24F47 (1)

Weight, g/mol:

420.287574

ΔHf, kcal/mol:

-666.94

Dipole, Da:

6.8

IP(EA), eV:

 -9.33(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (4R)-4-[(3R,5S,8R,10S,12S,13R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

CCCCOP(=O)(O)OCC1C[C@H](CN1C(=O)CCCCCN)OP(=O)(O)OCC2C[C@H](CN2C(=O)CCCS)O

DOS

IR

Vibrations