Geometry & MOs

Info

ID:

443565

PubChem CID:

135259332

Reduced:

SN3O7C35H39 (1)

Stoich.:

AB3C7D35E39 (1)

Weight, g/mol:

677.201871

ΔHf, kcal/mol:

-33.01

Dipole, Da:

3.71

IP(EA), eV:

 -8.73(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[(3aR,6aS)-5-hydroxy-5-(trifluoromethyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl]oxy]-2-(2-methoxyphenyl)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)OCC45CC6CC7CC(C4)C7(C6)C5)C(C)(C)C(=O)O)C8=NC=CO8

DOS

IR

Vibrations