Geometry & MOs

Info

ID:	50043
PubChem CID:	11538992
Reduced:	N5F6C18H19 (1)
Stoich.:	A5B6C18D19 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-229.75
Dipole, Da:	6.08
IP(EA), eV:	-9.87(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2,5-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-6-ylamino)butan-2-yl]pentanamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C[C@H]1N2CCN3C(=NN=C3C(F)(F)F)C2)N)C4=CC(=C(C=C4F)F)F

DOS

IR

Vibrations