Geometry & MOs

Info

ID:	157056
PubChem CID:	56413166
Reduced:	O2F3N3C24H26 (1)
Stoich.:	A2B3C3D24E26 (1)
Weight, g/mol:	448.196669
ΔH_f, kcal/mol:	-212.97
Dipole, Da:	8.26
IP(EA), eV:	-9.11(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanone

Drug info:

PubChemData

Smile

CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCCCC3C4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations