Geometry & MOs

Info

ID:	396859
PubChem CID:	135029353
Reduced:	OSN2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	321.100108
ΔH_f, kcal/mol:	77.81
Dipole, Da:	4.85
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(1-methylindol-3-yl)-2-oxoacetyl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N)S2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations