Geometry & MOs

Info

ID:	405491
PubChem CID:	135074166
Reduced:	SN2O2C23H26 (1)
Stoich.:	AB2C2D23E26 (1)
Weight, g/mol:	458.06636
ΔH_f, kcal/mol:	3.43
Dipole, Da:	6.74
IP(EA), eV:	-8.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromo-1H-indol-3-yl)ethyl]-N-(2-cyclopropylideneethyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CCC2=CNC3=C2C=C(C=C3)C)CC=C4CC4

DOS

IR

Vibrations