Geometry & MOs

Info

ID:	139387
PubChem CID:	52521321
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	406.074719
ΔH_f, kcal/mol:	-66.28
Dipole, Da:	4.01
IP(EA), eV:	-8.47(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-N-methyl-N-[4-(3-methyl-5-nitroimidazol-4-yl)oxyphenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC=CC=C2NC(=O)COC3=NN(C4=C3C(=CC(=N4)C)C)C)C

DOS

IR

Vibrations