Geometry & MOs

Info

ID:	42815
PubChem CID:	8150048
Reduced:	ClSN2O2C17H23 (1)
Stoich.:	ABC2D2E17F23 (1)
Weight, g/mol:	374.13608
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	7.03
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(1S)-1-(azocan-1-ium-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1CCCCC1)SCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations