Geometry & MOs

Info

ID:	40507
PubChem CID:	8144250
Reduced:	OSN4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	414.127623
ΔH_f, kcal/mol:	68.56
Dipole, Da:	3.73
IP(EA), eV:	-8.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(R)-furan-2-yl(phenyl)methyl]-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=S)O2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations