Geometry & MOs

Info

ID:	124706
PubChem CID:	50893489
Reduced:	NSO5C13H19 (1)
Stoich.:	ABC5D13E19 (1)
Weight, g/mol:	452.016903
ΔH_f, kcal/mol:	-206.13
Dipole, Da:	4.54
IP(EA), eV:	-8.75(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(trifluoromethyl)phenyl]-N-(2-hydrazinyl-2-oxoethyl)-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N(CCCC(=O)O)S(=O)(=O)C

DOS

IR

Vibrations