Geometry & MOs

Info

ID:	182871
PubChem CID:	76947949
Reduced:	S2N3O5C10H21 (1)
Stoich.:	A2B3C5D10E21 (1)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-191.88
Dipole, Da:	7.0
IP(EA), eV:	-9.47(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]piperidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CCC(CC(=NO)N)NS(=O)(=O)C1CCS(=O)(=O)CC1

DOS

IR

Vibrations