Geometry & MOs

Info

ID:	319414
PubChem CID:	126655928
Reduced:	ClON2H17C18 (2)
Stoich.:	ABC2D17E18 (2)
Weight, g/mol:	348.97721
ΔH_f, kcal/mol:	20.36
Dipole, Da:	3.16
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromophenyl)sulfonyl-3-methylindole

Drug info:

PubChemData

Smile

C1CC1NC2=C(C=C(C=C2)C(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=N)C5CCN(CC5)C(=O)C6=CC=C(C=C6)C(=O)N

DOS

IR

Vibrations