Geometry & MOs

Info

ID:	218295
PubChem CID:	85089140
Reduced:	ClSO3N5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	445.04846
ΔH_f, kcal/mol:	-1.35
Dipole, Da:	7.84
IP(EA), eV:	-8.51(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-bromo-7,11,11-trimethoxy-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-en-8-yl)methyl carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Cl)C(=NN=C(N)N)C4CC4

DOS

IR

Vibrations