Geometry & MOs

Info

ID:	149170
PubChem CID:	53788842
Reduced:	SN3O6H23C24 (1)
Stoich.:	AB3C6D23E24 (1)
Weight, g/mol:	509.93613
ΔH_f, kcal/mol:	-125.31
Dipole, Da:	4.02
IP(EA), eV:	-9.68(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(2,4-dibromo-N-carbamoylanilino)-4-oxo-1H-cinnoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(C(C2=CC=CC=C2C(=O)C3=CC=NC=C3)N)C(=C)C(=O)OC

DOS

IR

Vibrations