Geometry & MOs

Info

ID:	229016
PubChem CID:	87566785
Reduced:	N2O5C8H14 (1)
Stoich.:	A2B5C8D14 (1)
Weight, g/mol:	529.160024
ΔH_f, kcal/mol:	-160.7
Dipole, Da:	1.65
IP(EA), eV:	-9.61(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-N-methyl-2-[[(1R)-1-[4-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]acetamide

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCC(=O)N(O)O

DOS

IR

Vibrations