Geometry & MOs

Info

ID:

325251

PubChem CID:

126682294

Reduced:

PN5O8C28H34 (1)

Stoich.:

AB5C8D28E34 (1)

Weight, g/mol:

377.185175

ΔHf, kcal/mol:

-303.81

Dipole, Da:

9.24

IP(EA), eV:

 -8.67(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-ethyl-4-methyl-3-phenylmethoxyoxolane-2-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC1CCCCC1)NP(=O)(OC[C@@H]2[C@H]([C@H]([C@](O2)(C#N)C3=CC=C4N3N=CC=C4N)O)O)OC5=CC=CC=C5

DOS

IR

Vibrations