Geometry & MOs

Info

ID:	144747
PubChem CID:	53407089
Reduced:	NSCl2O2H11C15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	260.035255
ΔH_f, kcal/mol:	-0.92
Dipole, Da:	5.41
IP(EA), eV:	-9.54(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(chloromethyl)-4-(1H-indol-4-ylmethylidene)-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2=C(C=CC(=C2)Cl)Cl)[N+]#[C-]

DOS

IR

Vibrations