Geometry & MOs

Info

ID:	83490
PubChem CID:	49857653
Reduced:	BrNSO3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	453.03981
ΔH_f, kcal/mol:	-43.28
Dipole, Da:	7.53
IP(EA), eV:	-8.63(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(CC=C)(C3=CC=C(C=C3)Br)O

DOS

IR

Vibrations