Geometry & MOs

Info

ID:	196170
PubChem CID:	78793075
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	341.11757
ΔH_f, kcal/mol:	-98.43
Dipole, Da:	4.26
IP(EA), eV:	-9.19(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzoate

Drug info:

PubChemData

Smile

CC(C)C(C)(C#N)NC(=O)CNC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

DOS

IR

Vibrations