Geometry & MOs

Info

ID:	413107
PubChem CID:	135086051
Reduced:	ClNC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	470.177647
ΔH_f, kcal/mol:	40.14
Dipole, Da:	3.98
IP(EA), eV:	-8.34(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-azidophenyl)ethynyl]-N-[2-[(Z)-hex-1-enyl]phenyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CCCCC#CC1=C(C=C(C=C1)Cl)NC

DOS

IR

Vibrations