Geometry & MOs

Info

ID:	392341
PubChem CID:	135014596
Reduced:	O5C25H34 (1)
Stoich.:	A5B25C34 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-187.72
Dipole, Da:	5.88
IP(EA), eV:	-9.29(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCCCCC[C@@H]([C@H]([C@H](CCC=O)OCC2=CC=CC=C2)O)O

DOS

IR

Vibrations