Geometry & MOs

Info

ID:	143160
PubChem CID:	53155485
Reduced:	F2O3N4H16C20 (1)
Stoich.:	A2B3C4D16E20 (1)
Weight, g/mol:	414.089496
ΔH_f, kcal/mol:	-95.12
Dipole, Da:	5.91
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-fluorophenyl)-2-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethylpyrrol-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC(=O)NC2=CC(=CC(=C2)F)F)C)C3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations