Geometry & MOs

Info

ID:	190680
PubChem CID:	78042440
Reduced:	FO3N4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	532.231738
ΔH_f, kcal/mol:	-143.54
Dipole, Da:	3.91
IP(EA), eV:	-8.78(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-[4-[tert-butyl(dimethyl)silyl]oxy-3-fluoro-5-(1-hydroxyethyl)-3-methyloxolan-2-yl]-5-fluoropyrrolo[2,3-d]pyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CCC(C1C(C(C(O1)N2C=C(C3=C(N=CN=C32)N)F)C)O)O

DOS

IR

Vibrations