Geometry & MOs

Info

ID:	81696
PubChem CID:	49855023
Reduced:	SO4N5H25C26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	516.183127
ΔH_f, kcal/mol:	-33.7
Dipole, Da:	10.08
IP(EA), eV:	-7.93(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-N-methylquinoline-8-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5

DOS

IR

Vibrations