Geometry & MOs

Info

ID:	392778
PubChem CID:	135017936
Reduced:	SN2O6H16C18 (1)
Stoich.:	AB2C6D16E18 (1)
Weight, g/mol:	371.119129
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	3.44
IP(EA), eV:	-8.65(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-methoxy-2-methyl-1-(4-methylphenyl)sulfonylindol-4-yl]propan-2-one

Drug info:

PubChemData

Smile

CC1=CN(C2=C1C(=C(C=C2)OC)CC=O)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations