Geometry & MOs

Info

ID:	381711
PubChem CID:	134972522
Reduced:	NSO3H17C19 (1)
Stoich.:	ABC3D17E19 (1)
Weight, g/mol:	434.093643
ΔH_f, kcal/mol:	-44.54
Dipole, Da:	4.45
IP(EA), eV:	-9.19(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-methylphenyl)sulfonylindol-2-yl]-2-(4-nitrophenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=CC=C2C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations