Geometry & MOs

Info

ID:	40524
PubChem CID:	8144271
Reduced:	SO2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	372.134816
ΔH_f, kcal/mol:	26.24
Dipole, Da:	4.31
IP(EA), eV:	-8.36(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NN(C(=S)O2)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations