Geometry & MOs

Info

ID:	413075
PubChem CID:	135086019
Reduced:	N4H16C23 (1)
Stoich.:	A4B16C23 (1)
Weight, g/mol:	289.057278
ΔH_f, kcal/mol:	139.58
Dipole, Da:	2.48
IP(EA), eV:	-8.82(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)ethynyl]-N-phenylmethanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(N2CN4C5=C(C=NC=C5)C6=CC=CC=C64)C=CN=C3

DOS

IR

Vibrations