Geometry & MOs

Info

ID:

219880

PubChem CID:

85165002

Reduced:

ISi2N3O6C21H40 (1)

Stoich.:

AB2C3D6E21F40 (1)

Weight, g/mol:

613.191643

ΔHf, kcal/mol:

-419.63

Dipole, Da:

4.3

IP(EA), eV:

 -8.67(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[4-(methoxymethoxy)phenyl]-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxo-5-[(pentanoylamino)methyl]-4a,7a-dihydrothieno[2,3-d]pyrimidin-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)[Si]1(OCC2C(CC(O2)N3C(C(C(=O)NC3=O)I)N)O[Si](O1)(C(C)C)C(C)C)C(C)C

DOS

IR

Vibrations