Geometry & MOs

Info

ID:

312184

PubChem CID:

126603482

Reduced:

ClFSO2N5H15C20 (1)

Stoich.:

ABCD2E5F15G20 (1)

Weight, g/mol:

1008.528216

ΔHf, kcal/mol:

28.77

Dipole, Da:

3.0

IP(EA), eV:

 -9.23(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E,3Z)-3-[1-[6-[2-[[2-[[12,14-dihydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]acetyl]amino]ethylamino]-6-oxohexyl]-3,3,5-trimethylindol-2-ylidene]prop-1-enyl]-3,3-dimethylindole-5-sulfonic acid

Drug info:

PubChemData

Smile

CN1C(=C(C=N1)C#N)/C=C(\C=C)/C2=CC(=C(N=C2)Cl)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations