Geometry & MOs

Info

ID:

443589

PubChem CID:

135259422

Reduced:

SN3O8C33H39 (1)

Stoich.:

AB3C8D33E39 (1)

Weight, g/mol:

629.200728

ΔHf, kcal/mol:

-294.89

Dipole, Da:

6.26

IP(EA), eV:

 -8.84(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[(5,5-difluoro-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

CCC1(C[C@H]2CC(C[C@H]2C1)OC(CN3C4=C(C(=C(S4)C5=NC=CO5)C)C(=O)N(C3=O)C(C)(C)C(=O)O)C6=CC=CC=C6OC)O

DOS

IR

Vibrations