Geometry & MOs

Info

ID:	36816
PubChem CID:	8013228
Reduced:	ClSN2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	396.183127
ΔH_f, kcal/mol:	-125.04
Dipole, Da:	4.35
IP(EA), eV:	-8.86(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclooctylidenehydrazinyl)-N,N-diethyl-5-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations