Geometry & MOs

Info

ID:	307989
PubChem CID:	125311160
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	478.182549
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	4.42
IP(EA), eV:	-8.4(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R)-2-amino-8-[(1,6-dimethylimidazo[4,5-g]quinoxalin-2-yl)amino]-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-purin-6-one

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1)SCCOC2=CC=C(C=C2)OC

DOS

IR

Vibrations