Geometry & MOs

Info

ID:	122306
PubChem CID:	50801731
Reduced:	FSO3N4C24H29 (1)
Stoich.:	ABC3D4E24F29 (1)
Weight, g/mol:	431.10704
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	6.42
IP(EA), eV:	-8.9(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-chlorophenyl)methyl]-5-(dimethylsulfamoyl)-1-prop-2-enylindole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F)C

DOS

IR

Vibrations