Geometry & MOs

Info

ID:	200637
PubChem CID:	79419554
Reduced:	ClSN3H12C14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	295.072369
ΔH_f, kcal/mol:	86.25
Dipole, Da:	3.98
IP(EA), eV:	-8.59(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=NN2)NCC3=CC(=CS3)Cl

DOS

IR

Vibrations