Geometry & MOs

Info

ID:	243228
PubChem CID:	99217265
Reduced:	BrN3O4H20C21 (1)
Stoich.:	AB3C4D20E21 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-105.41
Dipole, Da:	7.2
IP(EA), eV:	-9.1(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]quinoline-5-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)C(=O)CNC(=O)CN3C(=O)COC4=C3C=CC(=C4)Br

DOS

IR

Vibrations