Geometry & MOs

Info

ID:	172580
PubChem CID:	75527082
Reduced:	FO3N4C18H19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	444.080074
ΔH_f, kcal/mol:	-64.71
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-fluorophenyl)-2-[2-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C=CC=C1C2=NC(=NO2)C3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations