Geometry & MOs

Info

ID:	397444
PubChem CID:	135030226
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	324.056863
ΔH_f, kcal/mol:	55.81
Dipole, Da:	6.06
IP(EA), eV:	-9.75(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(1Z)-2-oxo-1-(2-oxo-1H-indol-3-ylidene)-2-phenylethyl] carbamothioate

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C(=O)[C@@H]1N=[N+]=[N-]

DOS

IR

Vibrations