Geometry & MOs

Info

ID:	298271
PubChem CID:	117648196
Reduced:	FO4N6C25H35 (1)
Stoich.:	AB4C6D25E35 (1)
Weight, g/mol:	508.271051
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	2.34
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-cyano-3-fluoro-6-[(5-pyrazol-1-ylpyridin-3-yl)amino]pyridin-2-yl]amino]heptan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]([C@H](CC)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC(=NC=C2)OCCOC)C#N)F

DOS

IR

Vibrations