Geometry & MOs

Info

ID:	160944
PubChem CID:	57390327
Reduced:	O2S2N4H18C19 (1)
Stoich.:	A2B2C4D18E19 (1)
Weight, g/mol:	482.235162
ΔH_f, kcal/mol:	48.53
Dipole, Da:	7.04
IP(EA), eV:	-8.48(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]quinoline-6-sulfonamide

Drug info:

PubChemData

Smile

CN(C)C(=S)NC1=CC=CC(=C1)C2=NN=C(O2)SCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations