Geometry & MOs

Info

ID:	392976
PubChem CID:	135018752
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	500.18035
ΔH_f, kcal/mol:	-7.76
Dipole, Da:	7.9
IP(EA), eV:	-8.27(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-but-2-enyl]-N-[(E)-4-[but-2-ynyl-(4-methylphenyl)sulfonylamino]but-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@H](C2=CC3=CC=CC=C3N2)NS(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations