Geometry & MOs

Info

ID:	40519
PubChem CID:	8144262
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	404.106888
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	5.82
IP(EA), eV:	-8.44(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-[(R)-furan-2-yl(phenyl)methyl]azanium

Drug info:

PubChemData

Smile

CCCCC[C@@H]1C[C@H]1C(=O)NNC=C2C=C(C=CC2=O)OC

DOS

IR

Vibrations