Geometry & MOs

Info

ID:	214535
PubChem CID:	85083163
Reduced:	ClS3O6N7H16C17 (1)
Stoich.:	AB3C6D7E16F17 (1)
Weight, g/mol:	546.213323
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	12.07
IP(EA), eV:	-9.43(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[acetyloxy-[[5-[1-(oxan-2-yl)-7-(oxan-2-yloxy)pyrazolo[4,3-d]pyrimidin-3-yl]-3-oxooxolan-2-yl]methoxy]boranyl] acetate

Drug info:

PubChemData

Smile

C1C2C(C(=O)N2C(=C(O1)CSC3=NN=CS3)C(=O)O)NC(=O)C(=NOCCCl)C4=CSC(=N4)N

DOS

IR

Vibrations