Geometry & MOs

Info

ID:	33234
PubChem CID:	7885562
Reduced:	SO2N3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-80.97
Dipole, Da:	4.16
IP(EA), eV:	-8.77(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H]1CCC[C@H](N1C(=O)CN2C=NC3=C(C2=O)C(=C(S3)C)C)C

DOS

IR

Vibrations