Geometry & MOs

Info

ID:

307428

PubChem CID:

125299923

Reduced:

FSO3N6H21C23 (1)

Stoich.:

ABC3D6E21F23 (1)

Weight, g/mol:

552.490631

ΔHf, kcal/mol:

-70.3

Dipole, Da:

5.63

IP(EA), eV:

 -8.96(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9R,10R,13R,14R,17S)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] undec-10-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)CC4=NC(=O)NC(=O)C4)C

DOS

IR

Vibrations