Geometry & MOs

Info

ID:	393574
PubChem CID:	135021059
Reduced:	NSO2C25H27 (1)
Stoich.:	ABC2D25E27 (1)
Weight, g/mol:	485.238851
ΔH_f, kcal/mol:	6.49
Dipole, Da:	4.68
IP(EA), eV:	-8.7(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-4-(2-oct-1-ynylphenyl)-1-phenylbut-2-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC=CCC2=CC=CC=C2C#CC3=CCCCC3

DOS

IR

Vibrations