Geometry & MOs

Info

ID:	298054
PubChem CID:	117647407
Reduced:	F3O3N5C23H28 (1)
Stoich.:	A3B3C5D23E28 (1)
Weight, g/mol:	501.275133
ΔH_f, kcal/mol:	-256.13
Dipole, Da:	4.02
IP(EA), eV:	-8.8(-0.74)
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-propan-2-yloxyanilino)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)F)C(=O)N)F

DOS

IR

Vibrations