Geometry & MOs

Info

ID:	449031
PubChem CID:	135295381
Reduced:	OSN5H17C19 (1)
Stoich.:	ABC5D17E19 (1)
Weight, g/mol:	569.260666
ΔH_f, kcal/mol:	101.76
Dipole, Da:	6.06
IP(EA), eV:	-9.0(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[6-methyl-2-morpholin-4-yl-7-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]-N-methylsulfanylpyridin-3-amine

Drug info:

PubChemData

Smile

C1CCN(C1)C(=C=O)C2=CC(=NC=C2)NC3=NC4C=CC(=CC4S3)C#N

DOS

IR

Vibrations