Geometry & MOs

Info

ID:	35406
PubChem CID:	7979816
Reduced:	ClSN2O4C19H21 (1)
Stoich.:	ABC2D4E19F21 (1)
Weight, g/mol:	344.056385
ΔH_f, kcal/mol:	-113.56
Dipole, Da:	4.51
IP(EA), eV:	-8.86(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-nitrophenoxy)-1-(2-methyl-1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=O)NNC(=O)CCCSC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations