Geometry & MOs

Info

ID:

229946

PubChem CID:

87569611

Reduced:

O2N3F6H17C26 (1)

Stoich.:

A2B3C6D17E26 (1)

Weight, g/mol:

1301.744036

ΔHf, kcal/mol:

-295.48

Dipole, Da:

7.15

IP(EA), eV:

 -10.15(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(Z,2S)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1-[[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)methylamino]heptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxohenicos-12-en-2-yl] 6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(N(C2=O)CC3=CC(=CC=C3)C#N)C(=O)NCC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations