Geometry & MOs

Info

ID:	42138
PubChem CID:	8149229
Reduced:	O2S2N3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	336.174573
ΔH_f, kcal/mol:	-17.32
Dipole, Da:	2.81
IP(EA), eV:	-8.7(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-methyl-5-[(2R)-2-methylbutyl]-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)N4CCOCC4

DOS

IR

Vibrations