Geometry & MOs

Info

ID:	422827
PubChem CID:	135118481
Reduced:	SO2N6C15H26 (1)
Stoich.:	AB2C6D15E26 (1)
Weight, g/mol:	369.125946
ΔH_f, kcal/mol:	-16.28
Dipole, Da:	4.54
IP(EA), eV:	-7.93(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[[(2S)-5-oxopyrrolidin-2-yl]methyl-(pyridin-2-ylmethyl)amino]methyl]-1H-thieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C1=NC=CN=C1N2CCCN(CC2)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations