Geometry & MOs

Info

ID:	298052
PubChem CID:	117647401
Reduced:	F2O3N5C23H29 (1)
Stoich.:	A2B3C5D23E29 (1)
Weight, g/mol:	527.215567
ΔH_f, kcal/mol:	-216.13
Dipole, Da:	5.34
IP(EA), eV:	-8.52(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-3-fluoro-6-[3-(trifluoromethoxy)anilino]pyridin-2-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1NC2=C(C=C(C(=N2)NC3=CC=C(C=C3)F)C(=O)N)F

DOS

IR

Vibrations