Geometry & MOs

Info

ID:	319963
PubChem CID:	126657695
Reduced:	SF2O3N4C26H26 (1)
Stoich.:	AB2C3D4E26F26 (1)
Weight, g/mol:	739.05822
ΔH_f, kcal/mol:	-58.87
Dipole, Da:	5.88
IP(EA), eV:	-7.32(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-benzoyloxy-2-[(1R,2S)-2-benzoyloxy-1-(4-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)propoxy]propyl] benzoate

Drug info:

PubChemData

Smile

CS(C)(C)CCOCN1C2=CC=CC=C2N=C1C3=NC4=C(O3)C=C(C=C4)C5=CC(=CN=C5)OC(F)F

DOS

IR

Vibrations