Geometry & MOs

Info

ID:	40480
PubChem CID:	8144209
Reduced:	SN5C21H25 (1)
Stoich.:	AB5C21D25 (1)
Weight, g/mol:	346.155552
ΔH_f, kcal/mol:	95.47
Dipole, Da:	4.71
IP(EA), eV:	-8.19(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(S)-furan-2-yl(phenyl)methyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=NN(C(=S)N2C)CN3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations