Geometry & MOs

Info

ID:	80378
PubChem CID:	49834218
Reduced:	SO2N8C26H32 (1)
Stoich.:	AB2C8D26E32 (1)
Weight, g/mol:	488.235831
ΔH_f, kcal/mol:	23.64
Dipole, Da:	7.03
IP(EA), eV:	-8.53(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-isoquinolin-4-yl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)methyl]-N,N-dimethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)(C(=O)N)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=NC=CC5=C4C=CN5)N6CCOCC6

DOS

IR

Vibrations