Geometry & MOs

Info

ID:

443563

PubChem CID:

135259330

Reduced:

FO3N9C38H42 (1)

Stoich.:

AB3C9D38E42 (1)

Weight, g/mol:

633.250872

ΔHf, kcal/mol:

-21.11

Dipole, Da:

6.89

IP(EA), eV:

 -8.59(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-(1-adamantylmethoxy)-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

CCN(C1=CC2=C(C=C1)NN=C2C3=CN=C(C=C3)OC(C)C)C(=O)[C@@H]4CCN(C4)CC(=O)N5CCC(=CC5)C6=C(C=C(C=C6)C7=NN(C=N7)C)F

DOS

IR

Vibrations