Geometry & MOs

Info

ID:	45904
PubChem CID:	10518922
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	309.174022
ΔH_f, kcal/mol:	-8.72
Dipole, Da:	3.78
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E,2S,3R)-5-(4-fluorophenyl)-1,3-dihydroxypent-4-en-2-yl]hexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N/N=C(/C(=O)OCC2=CC=CS2)\Cl

DOS

IR

Vibrations