Geometry & MOs

Info

ID:	141810
PubChem CID:	52931667
Reduced:	NF3O5H18C21 (1)
Stoich.:	AB3C5D18E21 (1)
Weight, g/mol:	509.372976
ΔH_f, kcal/mol:	-317.56
Dipole, Da:	7.25
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(2R)-1,1-dicyclohexyl-3-oxo-3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethylamino)propan-2-yl]-3-methyl-2-(methylamino)pentanamide

Drug info:

PubChemData

Smile

CCCC1=C(C=CC2=C1OC(=O)C(=C2)C(=O)NC3=C(C=C(C=C3)O)C(F)(F)F)OC

DOS

IR

Vibrations