Geometry & MOs

Info

ID:	396724
PubChem CID:	135029090
Reduced:	NH14C20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	390.973978
ΔH_f, kcal/mol:	125.51
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.487314
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-hydroxyphenyl)-3-oxo-2-thiatricyclo[6.3.1.04,12]dodeca-1(12),4,6,8,10-pentaene-9-sulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C3C=CC=C3)[N-]C4=CC=CC=C42

DOS

IR

Vibrations