Geometry & MOs

Info

ID:	138670
PubChem CID:	52405116
Reduced:	FN2S2O3C18H20 (1)
Stoich.:	AB2C2D3E18F20 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	3.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.194471
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[3-[4-(2-ethoxyphenoxy)piperidin-1-yl]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)S(=O)(=O)NC2=CC(=C(C=C2)F)N=C(C3CCCCC3)[O-]

DOS

IR

Vibrations