Geometry & MOs

Info

ID:	41325
PubChem CID:	8145664
Reduced:	FS2N5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	404.233802
ΔH_f, kcal/mol:	62.54
Dipole, Da:	4.23
IP(EA), eV:	-8.33(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=C(C=C3)F)CC4=CC=CS4

DOS

IR

Vibrations