Geometry & MOs

Info

ID:

443581

PubChem CID:

135259393

Reduced:

NS2O4C12H25 (1)

Stoich.:

AB2C4D12E25 (1)

Weight, g/mol:

613.164949

ΔHf, kcal/mol:

-218.17

Dipole, Da:

7.03

IP(EA), eV:

 -8.83(-0.02)

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-chlorophenyl)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

CC(C)CCNC(=O)C(CCSC(C)C)S(=O)(=O)O

DOS

IR

Vibrations