Geometry & MOs

Info

ID:	397445
PubChem CID:	135030227
Reduced:	SN2O3H12C17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	475.135448
ΔH_f, kcal/mol:	-41.47
Dipole, Da:	2.91
IP(EA), eV:	-9.02(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-2-oxo-1-(2-oxo-1H-indol-3-ylidene)-2-phenylethyl] (Z)-N-anilinobenzenecarboximidothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)/C(=C/2\C3=CC=CC=C3NC2=O)/SC(=O)N

DOS

IR

Vibrations