Geometry & MOs

Info

ID:	441563
PubChem CID:	135236242
Reduced:	SF2N4O4H26C28 (1)
Stoich.:	AB2C4D4E26F28 (1)
Weight, g/mol:	426.08497
ΔH_f, kcal/mol:	-185.12
Dipole, Da:	5.5
IP(EA), eV:	-8.68(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,4-difluorophenyl)phenyl]-6-methylsulfonylindole-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)C=C(N2C3=CC(=CC(=C3)C(=O)N4CCCCC4)C5=C(C=C(C=C5)F)F)C(=O)N

DOS

IR

Vibrations