Geometry & MOs

Info

ID:	128465
PubChem CID:	51045416
Reduced:	O2Cl6N6H16C23 (1)
Stoich.:	A2B6C6D16E23 (1)
Weight, g/mol:	481.11077
ΔH_f, kcal/mol:	6.63
Dipole, Da:	6.43
IP(EA), eV:	-10.1(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(C2=C3C(=NC=N2)N(C=N3)C(C(Cl)(Cl)Cl)NC(=O)C4=CC=CC=C4)C(Cl)(Cl)Cl

DOS

IR

Vibrations