Geometry & MOs

Info

ID:	339048
PubChem CID:	127260059
Reduced:	SN4O5H16C17 (1)
Stoich.:	AB4C5D16E17 (1)
Weight, g/mol:	311.130363
ΔH_f, kcal/mol:	-35.93
Dipole, Da:	6.51
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6E)-6-(benzenesulfonylhydrazinylidene)hexan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)/C=C/C=N/NS(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations