Geometry & MOs

Info

ID:	54264
PubChem CID:	16957247
Reduced:	BrFOSN2H18C21 (1)
Stoich.:	ABCDE2F18G21 (1)
Weight, g/mol:	396.106312
ΔH_f, kcal/mol:	19.55
Dipole, Da:	3.15
IP(EA), eV:	-8.64(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-chloro-4-methylphenyl)furan-2-yl]-(4-phenylpiperazin-1-yl)methanethione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)F)C(=S)C3=CC=C(O3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations