Geometry & MOs

Info

ID:	396848
PubChem CID:	135029326
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-51.99
Dipole, Da:	3.38
IP(EA), eV:	-8.6(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-azidoprop-2-enyl)-4-methyl-N-[(2E,4E)-5-phenylpenta-2,4-dienyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CSC1=NCCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations