Geometry & MOs

Info

ID:	379175
PubChem CID:	134356465
Reduced:	SF2O5N8C33H40 (1)
Stoich.:	AB2C5D8E33F40 (1)
Weight, g/mol:	409.161326
ΔH_f, kcal/mol:	-200.55
Dipole, Da:	5.99
IP(EA), eV:	-9.1(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-8-amino-2-oxo-1-(2,3,6-trifluorophenoxy)octan-3-yl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCC3=CN(N=N3)C4=CC=CC(=C4)C(=O)NC(CCCCN)C(=O)COC5=C(C=CC=C5F)F)NC(=O)N2

DOS

IR

Vibrations