Geometry & MOs

Info

ID:	135214
PubChem CID:	51834564
Reduced:	N2O2F3C22H33 (1)
Stoich.:	A2B2C3D22E33 (1)
Weight, g/mol:	486.255229
ΔH_f, kcal/mol:	-284.79
Dipole, Da:	6.22
IP(EA), eV:	-9.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(2S,3S)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxo-3-phenylbutan-2-yl]pentanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations