Geometry & MOs

Info

ID:

443584

PubChem CID:

135259397

Reduced:

SN3O10C29H31 (1)

Stoich.:

AB3C10D29E31 (1)

Weight, g/mol:

645.195643

ΔHf, kcal/mol:

-343.05

Dipole, Da:

7.12

IP(EA), eV:

 -9.07(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[(3aS)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]oxy]-2-[2-(difluoromethoxy)phenyl]ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=O)N2CC(C3=CC=CC=C3OC)O[C@H]4COC5C4OC[C@@H]5O)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations