Geometry & MOs

Info

ID:	142498
PubChem CID:	53044251
Reduced:	FNO2H18C24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	527.091784
ΔH_f, kcal/mol:	-39.55
Dipole, Da:	2.43
IP(EA), eV:	-8.73(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(benzenesulfonyl)-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-2-(4-chlorophenoxy)ethanone

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)F)CC3C4=CC=CC=C4N(C3=O)C5=CC=CC=C5

DOS

IR

Vibrations