Geometry & MOs

Info

ID:	25844
PubChem CID:	631806
Reduced:	BrSO2N3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	699.92146
ΔH_f, kcal/mol:	-0.85
Dipole, Da:	5.49
IP(EA), eV:	-9.06(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,20-dibromo-6,17-bis(2-chlorophenyl)-2,4,5,13,15,16-hexazatricyclo[16.4.0.07,12]docosa-1,6,8,10,12,17,19,21-octaene-3,14-dione

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=CC=C(C=C1)Br)C2=NN=C(S2)N

DOS

IR

Vibrations