Geometry & MOs

Info

ID:	405427
PubChem CID:	135073876
Reduced:	NO2C13H13 (1)
Stoich.:	AB2C13D13 (1)
Weight, g/mol:	374.130028
ΔH_f, kcal/mol:	-34.96
Dipole, Da:	6.67
IP(EA), eV:	-10.05(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-nitro-N-[(Z)-4-phenylhept-4-enyl]benzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations