Geometry & MOs

Info

ID:	344339
PubChem CID:	127267515
Reduced:	ClSO2N3C15H16 (1)
Stoich.:	ABC2D3E15F16 (1)
Weight, g/mol:	262.113984
ΔH_f, kcal/mol:	-50.74
Dipole, Da:	6.96
IP(EA), eV:	-9.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(2-methyl-1H-indol-3-yl)-3-methylsulfanylpropanamide

Drug info:

PubChemData

Smile

CSC1=NC(=O)C=C(N1)CNC(=O)CCC2=CC(=CC=C2)Cl

DOS

IR

Vibrations