Geometry & MOs

Info

ID:	413262
PubChem CID:	135086209
Reduced:	FN2O3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	417.139865
ΔH_f, kcal/mol:	-134.88
Dipole, Da:	3.26
IP(EA), eV:	-8.94(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CNC(=O)C1=CC2=C(N1)C=CC(=C2)F)OC

DOS

IR

Vibrations