Geometry & MOs

Info

ID:

309795

PubChem CID:

126559056

Reduced:

N15H35C46 (1)

Stoich.:

A15B35C46 (1)

Weight, g/mol:

302.058196

ΔHf, kcal/mol:

423.7

Dipole, Da:

11.68

IP(EA), eV:

 -8.43(-2.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-4-chloro-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=NC=C(N1C)C2=NC\3=C(C=C2)NN/C3=C/4\N=C5C=CC=C(C5=N4)C6=NC(=CC=C6)C7=CC(=NC\8=C7NN/C8=C/9\N=C1C=CC=C(C1=N9)C1=CC=CC=N1)C1=CCNCC1

DOS

IR

Vibrations