Geometry & MOs

Info

ID:	227489
PubChem CID:	87561843
Reduced:	ClO2N4C12H13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	483.95092
ΔH_f, kcal/mol:	-27.1
Dipole, Da:	4.9
IP(EA), eV:	-9.05(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 8-chloro-7-[(4-iodophenyl)methyl]-4-sulfanylidene-1H-cinnoline-3-carboxylate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C2=NC(=NC3=C2OC=C3)Cl

DOS

IR

Vibrations