Geometry & MOs

Info

ID:	407165
PubChem CID:	135079489
Reduced:	NSO2C22H25 (1)
Stoich.:	ABC2D22E25 (1)
Weight, g/mol:	338.108899
ΔH_f, kcal/mol:	9.92
Dipole, Da:	5.35
IP(EA), eV:	-9.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethynyl-N-[2-(1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C(C2=CC=CC=C2)C(=C)C3CC3

DOS

IR

Vibrations