Geometry & MOs

Info

ID:	379124
PubChem CID:	134353301
Reduced:	SF3N6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	439.201752
ΔH_f, kcal/mol:	-87.01
Dipole, Da:	5.07
IP(EA), eV:	-8.62(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(1S)-1-piperidin-4-ylethyl]-2,7-diazaspiro[3.4]octan-7-yl]-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)[C@H](C1=CN(N=C1)C)N2CCC3(C2)CCN(C3)C4=C5C=C(SC5=NC=N4)CC(F)(F)F

DOS

IR

Vibrations