Geometry & MOs

Info

ID:	407192
PubChem CID:	135079517
Reduced:	BrN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	498.1647
ΔH_f, kcal/mol:	88.44
Dipole, Da:	3.36
IP(EA), eV:	-8.32(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-but-2-ynyl-N-[2-[[but-2-ynyl-(4-methylphenyl)sulfonylamino]methyl]prop-2-enyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C/C(=N\NC1=CC=CC=C1)/C=C/C2=CC=C(C=C2)Br

DOS

IR

Vibrations