Geometry & MOs

Info

ID:	413216
PubChem CID:	135086162
Reduced:	BrSO2N3H10C11 (1)
Stoich.:	ABC2D3E10F11 (1)
Weight, g/mol:	461.111936
ΔH_f, kcal/mol:	-15.23
Dipole, Da:	6.96
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-3-phenylsulfanylprop-2-ynyl]-4-methyl-N-prop-2-ynylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NS(=O)(=O)C2=NC=CC=N2)Br

DOS

IR

Vibrations