Geometry & MOs

Info

ID:	298056
PubChem CID:	117647410
Reduced:	FO3N5C25H34 (1)
Stoich.:	AB3C5D25E34 (1)
Weight, g/mol:	445.248918
ΔH_f, kcal/mol:	-175.86
Dipole, Da:	6.77
IP(EA), eV:	-8.5(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-[[5-carbamoyl-3-fluoro-6-(3-methylanilino)pyridin-2-yl]amino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC2=NC(=C(C=C2C(=O)N)F)N[C@@H]3CCCC[C@@H]3NC(=O)OC(C)(C)C

DOS

IR

Vibrations