Geometry & MOs

Info

ID:	134862
PubChem CID:	51770183
Reduced:	N2O2F3C22H31 (1)
Stoich.:	A2B2C3D22E31 (1)
Weight, g/mol:	388.272593
ΔH_f, kcal/mol:	-258.7
Dipole, Da:	6.72
IP(EA), eV:	-9.5(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[(1R)-2-(cyclohexylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-2-ethyl-N-methylhexanamide

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