Geometry & MOs

Info

ID:

43841

PubChem CID:

10321868

Reduced:

F2N3O4C24H25 (1)

Stoich.:

A2B3C4D24E25 (1)

Weight, g/mol:

457.173667

ΔHf, kcal/mol:

-214.94

Dipole, Da:

7.07

IP(EA), eV:

 -9.74(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R,15R,17R)-5-[(4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-4-hydroxy-17-methyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1C=C(CCN(C1=O)C)C2=CC=CC=C2)NC(=O)[C@H](C3=CC(=CC(=C3)F)F)O

DOS

IR

Vibrations