Geometry & MOs

Info

ID:	206269
PubChem CID:	80225008
Reduced:	BrNS2O3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	385.97583
ΔH_f, kcal/mol:	-63.05
Dipole, Da:	6.42
IP(EA), eV:	-8.79(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3,4-dihydro-2H-quinolin-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations