Geometry & MOs

Info

ID:	297987
PubChem CID:	117644535
Reduced:	FO2N7C21H26 (1)
Stoich.:	AB2C7D21E26 (1)
Weight, g/mol:	461.233937
ΔH_f, kcal/mol:	-32.33
Dipole, Da:	4.46
IP(EA), eV:	-7.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(2R,3S)-3-amino-1-phenylbutan-2-yl]amino]-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](C1CC1)NC2=C(C=C(C(=N2)NC3=C4C(=CC=C3)N(N=C4OC)C)C(=O)N)F)N

DOS

IR

Vibrations