Geometry & MOs

Info

ID:	54262
PubChem CID:	16957245
Reduced:	SN2O3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	440.0558
ΔH_f, kcal/mol:	12.8
Dipole, Da:	4.96
IP(EA), eV:	-8.35(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations