Geometry & MOs

Info

ID:	278049
PubChem CID:	103832977
Reduced:	N2O2F3C11H13 (1)
Stoich.:	A2B2C3D11E13 (1)
Weight, g/mol:	257.210327
ΔH_f, kcal/mol:	-239.18
Dipole, Da:	4.57
IP(EA), eV:	-8.62(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)NCC(C(F)(F)F)O)N

DOS

IR

Vibrations