Geometry & MOs

Info

ID:

328174

PubChem CID:

126693002

Reduced:

OH10C11 (4)

Stoich.:

AB10C11 (4)

Weight, g/mol:

591.2458

ΔHf, kcal/mol:

-16.97

Dipole, Da:

6.03

IP(EA), eV:

 -8.6(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethylbutyl (2S)-2-[[[(2R,3S,4R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C/C=C(\C=C/1\C(C(=C(C1=C)C)/C=C(\C=C)/OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C)C)/OC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)C

DOS

IR

Vibrations