Geometry & MOs

Info

ID:	122727
PubChem CID:	50818770
Reduced:	FS2O3N4H19C20 (1)
Stoich.:	AB2C3D4E19F20 (1)
Weight, g/mol:	447.086495
ΔH_f, kcal/mol:	-66.2
Dipole, Da:	4.72
IP(EA), eV:	-9.1(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-chlorophenyl)carbamoyl-methylamino]ethyl]-N-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C(S2)C(=O)NC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F

DOS

IR

Vibrations