Geometry & MOs

Info

ID:

223010

PubChem CID:

85333875

Reduced:

BF3O5N6C50H54 (1)

Stoich.:

AB3C5D6E50F54 (1)

Weight, g/mol:

887.377149

ΔHf, kcal/mol:

-285.01

Dipole, Da:

8.34

IP(EA), eV:

 -9.0(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-hydroxyoxolan-2-yl]-2-methylpurin-6-yl]benzamide

Drug info:

PubChemData

Smile

B1(OC2C3CC(C3(C)C)CC2(O1)C)C(CC)NC(=O)C4CC(C5=NC=C(C(=O)N45)NCC6=CC(=CC=C6)C(F)(F)F)(C)NC(=O)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations