Geometry & MOs

Info

ID:

219933

PubChem CID:

85165060

Reduced:

SiN2O6C35H46 (1)

Stoich.:

AB2C6D35E46 (1)

Weight, g/mol:

620.06504

ΔHf, kcal/mol:

-259.96

Dipole, Da:

4.55

IP(EA), eV:

 -8.63(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[5-(bromomethyl)-6-[4-(methoxymethoxy)phenyl]-1-[(2-methylsulfanylphenyl)methyl]-2,4-dioxo-4a,7a-dihydrothieno[2,3-d]pyrimidin-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(NC(=O)N(C1C(=O)OCCC2=CC=C(C=C2)OC)CC3=CC=C(C=C3)OC)CC4=CC=CC=C4

DOS

IR

Vibrations