Geometry & MOs

Info

ID:	162330
PubChem CID:	57394327
Reduced:	BrFSO4N6H12C14 (1)
Stoich.:	ABCD4E6F12G14 (1)
Weight, g/mol:	442.294391
ΔH_f, kcal/mol:	-40.32
Dipole, Da:	5.84
IP(EA), eV:	-9.5(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[[(3S)-1-(2-phenylacetyl)piperidin-3-yl]amino]ethyl]-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)OCCCOC2=NN=C(S2)C3=NN(N=N3)CC(=O)O)Br

DOS

IR

Vibrations