Geometry & MOs

Info

ID:	64409
PubChem CID:	29200145
Reduced:	ClN2S2O5H21C22 (1)
Stoich.:	AB2C2D5E21F22 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-153.77
Dipole, Da:	6.16
IP(EA), eV:	-8.75(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)C)Cl)C

DOS

IR

Vibrations