Geometry & MOs

Info

ID:	298055
PubChem CID:	117647409
Reduced:	FO4N5C26H36 (1)
Stoich.:	AB4C5D26E36 (1)
Weight, g/mol:	471.264568
ΔH_f, kcal/mol:	-219.99
Dipole, Da:	7.05
IP(EA), eV:	-8.38(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2R)-2-[[5-carbamoyl-6-(3-ethylanilino)-3-fluoropyridin-2-yl]amino]cyclohexyl]carbamate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)NC2=NC(=C(C=C2C(=O)N)F)N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C

DOS

IR

Vibrations