Geometry & MOs

Info

ID:	352521
PubChem CID:	127283609
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	377.123169
ΔH_f, kcal/mol:	-16.32
Dipole, Da:	0.87
IP(EA), eV:	-9.54(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[1-(4-methylidenepiperidin-1-yl)-1-oxopropan-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCC(=C)CC3

DOS

IR

Vibrations