Geometry & MOs

Info

ID:

441778

PubChem CID:

135244373

Reduced:

NC21H21 (2)

Stoich.:

AB21C21 (2)

Weight, g/mol:

519.203031

ΔHf, kcal/mol:

140.93

Dipole, Da:

2.45

IP(EA), eV:

 -7.98(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-azido-4-ethoxy-7-[(3S,4R)-3-fluoro-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]imidazo[2,1-f][1,2,4]triazine

Drug info:

PubChemData

Smile

C/C=C\C=C/CN(C1=CC=CC(=C1)C)C2=C3C=CC=CC3=C(C4=CC=CC=C42)N(C5=CC=CC=C5)C6=CC(=CCCC6C)C

DOS

IR

Vibrations