Geometry & MOs

Info

ID:	381766
PubChem CID:	134972594
Reduced:	SN2O4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	427.124215
ΔH_f, kcal/mol:	-42.74
Dipole, Da:	2.99
IP(EA), eV:	-9.09(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-oxo-4-phenylbut-3-ynyl)-N-(3-phenylprop-2-ynyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC#CC2=CC=CC=C2)CC(=O)N(C)OC

DOS

IR

Vibrations