Geometry & MOs

Info

ID:	189916
PubChem CID:	77922788
Reduced:	NO11C17H29 (1)
Stoich.:	AB11C17D29 (1)
Weight, g/mol:	383.152829
ΔH_f, kcal/mol:	-505.19
Dipole, Da:	5.51
IP(EA), eV:	-10.01(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[8-(5-amino-1,3-thiazol-2-yl)-8-azabicyclo[3.2.1]octan-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)C1C(C(C(C(O1)OC2C(C(OC(C2O)CO)O)NC(=O)C)O)O)O

DOS

IR

Vibrations