Geometry & MOs

Info

ID:	326182
PubChem CID:	126686983
Reduced:	N2O3C21H26 (1)
Stoich.:	A2B3C21D26 (1)
Weight, g/mol:	475.153494
ΔH_f, kcal/mol:	-92.82
Dipole, Da:	5.93
IP(EA), eV:	-8.25(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S)-3-aminooxolan-3-yl] (3S)-3-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)N2C[C@H]([C@H](C2)CO)CCC3=CC=CC=C3

DOS

IR

Vibrations