Geometry & MOs

Info

ID:	41609
PubChem CID:	8146534
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	352.111973
ΔH_f, kcal/mol:	-214.2
Dipole, Da:	7.99
IP(EA), eV:	-8.62(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-1-(furan-2-yl)ethyl]-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCC1=CC2=C(C(=C1O)CN3CCC[C@@H](C3)C(=O)OCC)OC(=O)C=C2C

DOS

IR

Vibrations