Geometry & MOs

Info

ID:	49290
PubChem CID:	11532663
Reduced:	BrON7C20H24 (1)
Stoich.:	ABC7D20E24 (1)
Weight, g/mol:	458.110749
ΔH_f, kcal/mol:	56.11
Dipole, Da:	4.12
IP(EA), eV:	-8.16(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-4-acetyloxy-5-(5-amino-2,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl)-3-(2-methoxyethoxy)oxolan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)NC2=NC(=NC=C2Br)NC3=CC=C(C=C3)N4CCOCC4

DOS

IR

Vibrations