Geometry & MOs

Info

ID:	24915
PubChem CID:	614477
Reduced:	SN4O8C18H22 (1)
Stoich.:	AB4C8D18E22 (1)
Weight, g/mol:	454.115835
ΔH_f, kcal/mol:	-290.89
Dipole, Da:	1.24
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5-diacetyloxy-6-[(2-methyl-5-methylsulfanyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=NC2=C(N=C(N=C2O1)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations