Geometry & MOs

Info

ID:	128871
PubChem CID:	51061632
Reduced:	ClS2N3O5H18C25 (1)
Stoich.:	AB2C3D5E18F25 (1)
Weight, g/mol:	437.24452
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	9.32
IP(EA), eV:	-8.7(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]hexadecanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations