Geometry & MOs

Info

ID:	401369
PubChem CID:	135051071
Reduced:	BNC22H31 (1)
Stoich.:	ABC22D31 (1)
Weight, g/mol:	570.89323
ΔH_f, kcal/mol:	9.03
Dipole, Da:	6.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.094349
Charge, e:	0

Chem-info

IUPAC name:

[1-(benzenesulfonyl)-4-bromoindol-3-yl]-chloromercury

Drug info:

PubChemData

Smile

[B-]1(C2CCCC1CCC2)(C3CCCC3)C4=CC5=CC=CC=C5N4C

DOS

IR

Vibrations