Geometry & MOs

Info

ID:	351609
PubChem CID:	127280501
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	389.152161
ΔH_f, kcal/mol:	-123.34
Dipole, Da:	4.61
IP(EA), eV:	-9.01(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-oxo-2-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]ethyl]thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)CC(=O)N2CCN(CC2)C(=O)CN3CSCC3=O

DOS

IR

Vibrations