Geometry & MOs

Info

ID:	135173
PubChem CID:	51828802
Reduced:	N2O2F3C24H29 (1)
Stoich.:	A2B2C3D24E29 (1)
Weight, g/mol:	360.277678
ΔH_f, kcal/mol:	-229.45
Dipole, Da:	4.38
IP(EA), eV:	-9.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-N-[(2R)-1-(tert-butylamino)-1-oxoheptan-2-yl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@H](C1=CC=C(C=C1)C(F)(F)F)N(C(=O)C2=CC=CC=C2)C(C)(C)C

DOS

IR

Vibrations