Geometry & MOs

Info

ID:	220660
PubChem CID:	85201710
Reduced:	BrO2S3N5C20H22 (1)
Stoich.:	AB2C3D5E20F22 (1)
Weight, g/mol:	540.196862
ΔH_f, kcal/mol:	30.88
Dipole, Da:	6.13
IP(EA), eV:	-8.72(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[9-[3-[3-(1,3-dioxoisoindol-2-yl)propoxy]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-5H-purin-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2(CSC(=N2)C3(CSC(=N3)C4(CSC(=N4)C#CBr)C)C)C)C(=O)NC

DOS

IR

Vibrations