Geometry & MOs

Info

ID:	224960
PubChem CID:	85735150
Reduced:	NO5C25H39 (1)
Stoich.:	AB5C25D39 (1)
Weight, g/mol:	417.311518
ΔH_f, kcal/mol:	-171.09
Dipole, Da:	6.54
IP(EA), eV:	-9.62(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-amino-N-[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-fluoro-1-oxopropan-2-yl]undecanamide

Drug info:

PubChemData

Smile

CCCCCCCC=CCCCCCCCC(=O)OC(CO)C1=CC=CC=C1[N+](=O)[O-]

DOS

IR

Vibrations