Geometry & MOs

Info

ID:

329487

PubChem CID:

126737419

Reduced:

SF2O4N5C19H21 (1)

Stoich.:

AB2C4D5E19F21 (1)

Weight, g/mol:

813.521136

ΔHf, kcal/mol:

-187.06

Dipole, Da:

4.61

IP(EA), eV:

 -8.69(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R)-4-[(3aR,5aR,5bR,11aS)-3a-[2-[(4-chlorophenyl)methyl-[2-(dimethylamino)ethyl]amino]ethylcarbamoyl]-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,11,11b,12,13,13a-decahydro-3H-cyclopenta[a]chrysen-9-yl]cyclohex-3-ene-1-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1CC2COC(=NC2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4C)OC(F)F)N

DOS

IR

Vibrations