Geometry & MOs

Info

ID:	40530
PubChem CID:	8144278
Reduced:	SN5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	372.134816
ΔH_f, kcal/mol:	95.49
Dipole, Da:	4.34
IP(EA), eV:	-8.21(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=NN(C2=S)CN3CCN(CC3)C4=CC=CC=C4)C

DOS

IR

Vibrations