Geometry & MOs

Info

ID:	135212
PubChem CID:	51834550
Reduced:	N2O2C33H46 (1)
Stoich.:	A2B2C33D46 (1)
Weight, g/mol:	414.249413
ΔH_f, kcal/mol:	-108.75
Dipole, Da:	3.72
IP(EA), eV:	-8.64(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)N([C@H](C1=CC2=CC=CC=C2C3=CC=CC=C31)C(=O)NC(C)(C)CC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations