Geometry & MOs

Info

ID:

379125

PubChem CID:

134353318

Reduced:

SF3N5C21H28 (1)

Stoich.:

AB3C5D21E28 (1)

Weight, g/mol:

553.269831

ΔHf, kcal/mol:

-110.93

Dipole, Da:

4.95

IP(EA), eV:

 -8.72(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[3-methyl-1-[7-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.4]octan-2-yl]butyl]azetidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](C1CCNCC1)N2CC3(C2)CCN(C3)C4=C5C=C(SC5=NC=N4)CC(F)(F)F

DOS

IR

Vibrations