Geometry & MOs

Info

ID:	162023
PubChem CID:	57393374
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	604.149793
ΔH_f, kcal/mol:	-143.77
Dipole, Da:	5.99
IP(EA), eV:	-8.92(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCCC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC5=C(C=C4)OCCO5)O

DOS

IR

Vibrations