Geometry & MOs

Info

ID:	194238
PubChem CID:	78502673
Reduced:	ClN3O5C17H18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	405.071404
ΔH_f, kcal/mol:	-186.53
Dipole, Da:	2.99
IP(EA), eV:	-9.48(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[1-(4-fluorophenyl)ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(NC(=C1C(=O)OC)C)C(=O)OC(C)C(=O)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations