Geometry & MOs

Info

ID:

443578

PubChem CID:

135259390

Reduced:

SN3O7C31H35 (1)

Stoich.:

AB3C7D31E35 (1)

Weight, g/mol:

607.198836

ΔHf, kcal/mol:

-256.57

Dipole, Da:

8.55

IP(EA), eV:

 -9.25(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[[(3aR,6aS)-5-oxo-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=CC=CC=C1C(CN2C3=C(C(=C(S3)C4=NC=CO4)C)C(=O)N(C2=O)C(C)(C)C(=O)O)OC5C[C@@H]6CC(CC6C5)O

DOS

IR

Vibrations