Geometry & MOs

Info

ID:	413403
PubChem CID:	135086352
Reduced:	BN2O2C13H23 (1)
Stoich.:	AB2C2D13E23 (1)
Weight, g/mol:	339.1293
ΔH_f, kcal/mol:	-162.79
Dipole, Da:	4.31
IP(EA), eV:	-9.14(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[(E)-4-phenylbut-3-en-1-ynyl]-N-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2CC)CC

DOS

IR

Vibrations