Geometry & MOs

Info

ID:

314873

PubChem CID:

126623855

Reduced:

FO3N7H22C23 (1)

Stoich.:

AB3C7D22E23 (1)

Weight, g/mol:

453.1536

ΔHf, kcal/mol:

-49.18

Dipole, Da:

4.52

IP(EA), eV:

 -9.18(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[2-[[(3R,3aR,6R,6aR)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]pyrimidin-5-yl]-3-acetylindol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4C[C@@H](C[C@H]4CC(=O)NC#N)F

DOS

IR

Vibrations