Geometry & MOs

Info

ID:	391662
PubChem CID:	135008043
Reduced:	OSeN2C20H21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	565.00385
ΔH_f, kcal/mol:	21.76
Dipole, Da:	4.86
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.030649
Charge, e:	0

Chem-info

IUPAC name:

chloro-[3-methoxycarbonyl-1-(4-methylphenyl)sulfonylindol-4-yl]mercury

Drug info:

PubChemData

Smile

CCC[N+]1=C([Se]C2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C

DOS

IR

Vibrations