Geometry & MOs

Info

ID:	186191
PubChem CID:	77400779
Reduced:	SN4O5H22C25 (1)
Stoich.:	AB4C5D22E25 (1)
Weight, g/mol:	410.126006
ΔH_f, kcal/mol:	-95.38
Dipole, Da:	4.78
IP(EA), eV:	-8.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-5-(5-amino-7-ethoxy-2-methylidene-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C=C1N(C2=NC(=NC=C2S1)N)C3C(CC(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5

DOS

IR

Vibrations