Geometry & MOs

Info

ID:	166276
PubChem CID:	74661506
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	415.122872
ΔH_f, kcal/mol:	-13.87
Dipole, Da:	11.06
IP(EA), eV:	-8.42(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

11,12-dimethyl-8-phenacyl-4-phenyl-10-thia-3,5,6-triaza-8-azoniatricyclo[7.3.0.02,6]dodeca-1,3,8,11-tetraen-7-one

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CS4

DOS

IR

Vibrations