Geometry & MOs

Info

ID:	173584
PubChem CID:	75657369
Reduced:	ClSN3O3H16C20 (1)
Stoich.:	ABC3D3E16F20 (1)
Weight, g/mol:	367.213401
ΔH_f, kcal/mol:	16.83
Dipole, Da:	1.12
IP(EA), eV:	-9.05(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

7-(1-ethylimidazol-2-yl)-3-(3-methoxyphenyl)-3-aza-8-azoniatricyclo[6.3.0.01,5]undecan-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=C(C=CC=N3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations