Geometry & MOs

Info

ID:	172172
PubChem CID:	75475326
Reduced:	O2N5C18H25 (1)
Stoich.:	A2B5C18D25 (1)
Weight, g/mol:	336.033541
ΔH_f, kcal/mol:	2.58
Dipole, Da:	6.05
IP(EA), eV:	-9.26(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=NO2)C3CCCCCN3C(=O)C4CCCC4

DOS

IR

Vibrations