Geometry & MOs

Info

ID:	135213
PubChem CID:	51834563
Reduced:	N2O2F3C22H33 (1)
Stoich.:	A2B2C3D22E33 (1)
Weight, g/mol:	414.249413
ΔH_f, kcal/mol:	-285.3
Dipole, Da:	5.66
IP(EA), eV:	-9.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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