Geometry & MOs

Info

ID:	297984
PubChem CID:	117644532
Reduced:	NO4C7H15 (1)
Stoich.:	AB4C7D15 (1)
Weight, g/mol:	527.189272
ΔH_f, kcal/mol:	-193.62
Dipole, Da:	5.78
IP(EA), eV:	-10.15(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2S)-1-[[5-cyano-3-fluoro-6-[(5-fluoro-6-morpholin-4-ylpyridin-3-yl)amino]pyridin-2-yl]amino]-1-(2-fluorophenyl)propan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCOC[C@H](C(C)O)NC(=O)O

DOS

IR

Vibrations