Geometry & MOs

Info

ID:	134861
PubChem CID:	51770182
Reduced:	N2O2F3C22H31 (1)
Stoich.:	A2B2C3D22E31 (1)
Weight, g/mol:	412.233763
ΔH_f, kcal/mol:	-260.53
Dipole, Da:	5.53
IP(EA), eV:	-9.51(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(1R)-2-(tert-butylamino)-2-oxo-1-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloct-2-enamide

Drug info:

PubChemData

Smile

CCCCC/C=C\C(=O)N(C)[C@H](C1=CC=C(C=C1)C(F)(F)F)C(=O)NC(C)(C)C

DOS

IR

Vibrations