Geometry & MOs

Info

ID:	413875
PubChem CID:	135086826
Reduced:	NSO2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	410.99286
ΔH_f, kcal/mol:	-17.82
Dipole, Da:	2.86
IP(EA), eV:	-8.49(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N-phenyl-N-(2-phenylethynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)N1C(SC2=CC=CC=C21)C#CC3=CCCCC3

DOS

IR

Vibrations