Geometry & MOs

Info

ID:	406074
PubChem CID:	135076452
Reduced:	BrSCl2C20H33 (1)
Stoich.:	ABC2D20E33 (1)
Weight, g/mol:	362.99286
ΔH_f, kcal/mol:	-13.35
Dipole, Da:	3.28
IP(EA), eV:	-8.73(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[2-(3-bromophenyl)ethynyl]methanesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations