Geometry & MOs

Info

ID:

443611

PubChem CID:

135259482

Reduced:

SN4O8C33H36 (1)

Stoich.:

AB4C8D33E36 (1)

Weight, g/mol:

581.183186

ΔHf, kcal/mol:

-269.42

Dipole, Da:

4.79

IP(EA), eV:

 -8.97(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-(2-methoxyphenyl)-2-(2-oxaspiro[3.3]heptan-6-yloxy)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)OC4CC5CC(CC5C4)(CC#N)O)C(C)(C)C(=O)O)C6=NC=CO6

DOS

IR

Vibrations