Geometry & MOs

Info

ID:	60436
PubChem CID:	26686064
Reduced:	O2F3N4C24H29 (1)
Stoich.:	A2B3C4D24E29 (1)
Weight, g/mol:	463.232086
ΔH_f, kcal/mol:	-178.77
Dipole, Da:	5.43
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl-[(2S)-1-oxo-1-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propan-2-yl]-[(2-piperidin-1-ylphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCC(=O)NC1=C(C(=C(C=C1)F)F)F)N(C)CC2=CC=CC=C2N3CCCCC3

DOS

IR

Vibrations