Geometry & MOs

Info

ID:	42643
PubChem CID:	8149808
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	377.201122
ΔH_f, kcal/mol:	-36.72
Dipole, Da:	6.47
IP(EA), eV:	-8.73(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[[6-methyl-5-[(2R)-2-methylbutyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidin-1-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)CC2=NC3=C(C(=CS3)C4=CC=CC=C4Cl)C(=O)N2

DOS

IR

Vibrations