Geometry & MOs

Info

ID:	432509
PubChem CID:	135172642
Reduced:	ClN3C9H10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	45.43
Dipole, Da:	5.19
IP(EA), eV:	-8.97(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-7H-purin-6-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C=C1CCCN1C2=NC(=NC=C2)Cl

DOS

IR

Vibrations