Geometry & MOs

Info

ID:	42208
PubChem CID:	8149307
Reduced:	OS2N3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	334.10478
ΔH_f, kcal/mol:	7.67
Dipole, Da:	4.17
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

butyl-[(1R)-1-(4-oxo-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations