Geometry & MOs

Info

ID:	413192
PubChem CID:	135086138
Reduced:	SN3O6H23C26 (1)
Stoich.:	AB3C6D23E26 (1)
Weight, g/mol:	345.059028
ΔH_f, kcal/mol:	-119.12
Dipole, Da:	10.29
IP(EA), eV:	-8.54(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-chloro-2-ethenylphenyl)ethynyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C#CC2N(C3=CC=CC=C3N2C(=O)OC)C(=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations