Geometry & MOs

Info

ID:

218716

PubChem CID:

85089851

Reduced:

S2N5O7C19H25 (1)

Stoich.:

A2B5C7D19E25 (1)

Weight, g/mol:

499.237016

ΔHf, kcal/mol:

-201.31

Dipole, Da:

6.09

IP(EA), eV:

 -9.1(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(9-fluoro-11,17-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] 1-methyl-4H-pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1(C2N(C1=O)C(=C(S2)CSC3=NN=NN3C)C(=O)OCOC(=O)C(C)(C)C)OC(=O)C

DOS

IR

Vibrations