Geometry & MOs

Info

ID:	88761
PubChem CID:	49956579
Reduced:	SN3O4C18H25 (1)
Stoich.:	AB3C4D18E25 (1)
Weight, g/mol:	405.099457
ΔH_f, kcal/mol:	-126.13
Dipole, Da:	5.13
IP(EA), eV:	-9.59(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)N/C=C(/C#N)\C(=O)OCC

DOS

IR

Vibrations