Geometry & MOs

Info

ID:	42677
PubChem CID:	8149857
Reduced:	OS2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	348.12043
ΔH_f, kcal/mol:	1.91
Dipole, Da:	1.97
IP(EA), eV:	-8.74(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations