Geometry & MOs

Info

ID:	193834
PubChem CID:	78444342
Reduced:	SN3O4C21H25 (1)
Stoich.:	AB3C4D21E25 (1)
Weight, g/mol:	377.132374
ΔH_f, kcal/mol:	-81.94
Dipole, Da:	5.17
IP(EA), eV:	-9.21(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

10-phenyl-7-(2-phenylethenyl)-4-thia-10-aza-6-azoniatricyclo[6.3.0.02,6]undecane-9,11-dione

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CSC1=NC(=C(C(C1C#N)C2=CC=CO2)C(=O)OCC=C)C

DOS

IR

Vibrations