Geometry & MOs

Info

ID:	298051
PubChem CID:	117647399
Reduced:	ClFO3N5C23H29 (1)
Stoich.:	ABC3D5E23F29 (1)
Weight, g/mol:	461.223846
ΔH_f, kcal/mol:	-175.21
Dipole, Da:	7.39
IP(EA), eV:	-8.71(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-3-fluoro-6-(4-fluoroanilino)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(=CC=C3)Cl)C(=O)N)F

DOS

IR

Vibrations