Geometry & MOs

Info

ID:	311575
PubChem CID:	126594013
Reduced:	O3N5C30H33 (1)
Stoich.:	A3B5C30D33 (1)
Weight, g/mol:	437.98044
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	5.33
IP(EA), eV:	-8.9(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-(2-chlorophenyl)-N,5,7-trimethylquinoline-2-sulfonamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)NC(=O)CCC3=C(C=CN=C3)C4=CC5=C(C=C4)N=CN5CC6COC6

DOS

IR

Vibrations