Geometry & MOs

Info

ID:

80138

PubChem CID:

49833213

Reduced:

NBr2O7H19C24 (1)

Stoich.:

AB2C7D19E24 (1)

Weight, g/mol:

670.221209

ΔHf, kcal/mol:

-205.38

Dipole, Da:

5.28

IP(EA), eV:

 -8.9(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

fluoromethyl (6S,8S,10S,11S,13S,14S,16R)-6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-[4-(3-methylsulfanylphenoxy)benzoyl]oxy-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=C(C=CC(=C3)OC4=C(C=C(C=C4Br)CC(=O)O)Br)O

DOS

IR

Vibrations