Geometry & MOs

Info

ID:	406071
PubChem CID:	135076449
Reduced:	SCl3C20H33 (1)
Stoich.:	AB3C20D33 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	-26.97
Dipole, Da:	3.02
IP(EA), eV:	-8.68(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[2-(4-tert-butylphenyl)ethynyl]methanesulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCSC#CC(=C(Cl)Cl)Cl

DOS

IR

Vibrations