Geometry & MOs

Info

ID:

224026

PubChem CID:

85337099

Reduced:

ON2C32H40 (1)

Stoich.:

AB2C32D40 (1)

Weight, g/mol:

471.15764

ΔHf, kcal/mol:

13.69

Dipole, Da:

1.82

IP(EA), eV:

 -8.07(0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethyl-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-3-methyl-6-[(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-4a,7a-dihydrothieno[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1(C(C2CCN1CC2)NC3=C(C=CC(=C3)C(C)(C)C)OC)C(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations