Geometry & MOs

Info

ID:	54263
PubChem CID:	16957246
Reduced:	BrOSN2H21C22 (1)
Stoich.:	ABCD2E21F22 (1)
Weight, g/mol:	444.03073
ΔH_f, kcal/mol:	61.79
Dipole, Da:	4.77
IP(EA), eV:	-8.51(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-bromophenyl)furan-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanethione

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(O3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations