Geometry & MOs

Info

ID:	79931
PubChem CID:	49831441
Reduced:	N2O3H20C22 (1)
Stoich.:	A2B3C20D22 (1)
Weight, g/mol:	355.02416
ΔH_f, kcal/mol:	-10.11
Dipole, Da:	4.25
IP(EA), eV:	-8.79(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-4-bromobut-2-enyl]-N-but-3-ynyl-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)COC1=CC=CC=C1)/C2=CC=C(C=C2)OC3=CC=CC=C3

DOS

IR

Vibrations