Geometry & MOs

Info

ID:	54349
PubChem CID:	17084319
Reduced:	ClFN4O4H18C20 (1)
Stoich.:	ABC4D4E18F20 (1)
Weight, g/mol:	399.097897
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	4.22
IP(EA), eV:	-9.25(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OCC(=O)NCCNC(=O)C2=NC(=NO2)C3=CC=CC=C3F

DOS

IR

Vibrations