Geometry & MOs

Info

ID:	138970
PubChem CID:	52452574
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	411.161663
ΔH_f, kcal/mol:	-36.05
Dipole, Da:	6.52
IP(EA), eV:	-8.51(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-3-(2-methylphenyl)thieno[3,2-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCCNC(=O)[C@@H]1CN(C2=CC=CC=C2O1)C(=S)NC3=C(C=CC(=C3)C)C

DOS

IR

Vibrations