Geometry & MOs

Info

ID:	61612
PubChem CID:	26710952
Reduced:	SF2N2O5C24H28 (1)
Stoich.:	AB2C2D5E24F28 (1)
Weight, g/mol:	402.04015
ΔH_f, kcal/mol:	-244.37
Dipole, Da:	3.34
IP(EA), eV:	-9.14(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylphenyl)sulfanyl-N-[2-(1H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN(C2CC2)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)OC(F)F

DOS

IR

Vibrations