Geometry & MOs

Info

ID:

336816

PubChem CID:

127255823

Reduced:

PN7O8C48H54 (1)

Stoich.:

AB7C8D48E54 (1)

Weight, g/mol:

871.382234

ΔHf, kcal/mol:

-179.95

Dipole, Da:

6.64

IP(EA), eV:

 -8.05(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[9-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-methyloxolan-2-yl]purin-6-yl]benzamide

Drug info:

PubChemData

Smile

CCO[C@@H]1[C@H](O[C@H]([C@@H]1OP(N(C(C)C)C(C)C)OCC#N)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)COC(C5=CC=CC=C5)(C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC

DOS

IR

Vibrations