Geometry & MOs

Info

ID:	298057
PubChem CID:	117647413
Reduced:	FO3N5C23H32 (1)
Stoich.:	AB3C5D23E32 (1)
Weight, g/mol:	498.250315
ΔH_f, kcal/mol:	-175.0
Dipole, Da:	3.47
IP(EA), eV:	-8.66(-0.5)
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-(triazol-1-yl)anilino]pyridin-2-yl]amino]pentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)NC1=C(C=C(C(=N1)NC2=CC=CC(=C2)C)C(=O)N)F

DOS

IR

Vibrations