Geometry & MOs

Info

ID:	406759
PubChem CID:	135078531
Reduced:	NSO2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	491.285801
ΔH_f, kcal/mol:	-2.13
Dipole, Da:	5.24
IP(EA), eV:	-9.22(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1E)-cyclopentadecen-1-yl]methyl]-N-(2-ethynylphenyl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations