Geometry & MOs

Info

ID:	54260
PubChem CID:	16957243
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	441.09139
ΔH_f, kcal/mol:	59.23
Dipole, Da:	6.79
IP(EA), eV:	-8.45(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations