Geometry & MOs

Info

ID:	128970
PubChem CID:	51064223
Reduced:	ClSN3O3C15H22 (1)
Stoich.:	ABC3D3E15F22 (1)
Weight, g/mol:	487.00891
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	2.62
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[4-(4-bromophenyl)sulfonyloxyphenyl]methylideneamino]benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NN=C(C)C)NS(=O)(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations