Geometry & MOs

Info

ID:	229934
PubChem CID:	87569581
Reduced:	O2C13H25 (2)
Stoich.:	A2B13C25 (2)
Weight, g/mol:	522.06784
ΔH_f, kcal/mol:	-272.36
Dipole, Da:	1.65
IP(EA), eV:	-10.54(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl]-2-[(1S)-1-cyano-2-(4-cyano-2-fluorophenyl)ethyl]imino-3-methylbutanamide

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)C(=O)OCC(CCCC)CCCCCC

DOS

IR

Vibrations