Geometry & MOs

Info

ID:	185672
PubChem CID:	77329195
Reduced:	SN3O3C16H19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	307.04856
ΔH_f, kcal/mol:	-46.42
Dipole, Da:	7.67
IP(EA), eV:	-8.95(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 7-chloro-2,3-dioxo-4-aza-1-azoniatricyclo[7.3.1.05,13]trideca-1(13),4,6,8-tetraene-11-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CNNC2C3=CC=CC=C3S(=O)(=O)N

DOS

IR

Vibrations