Geometry & MOs

Info

ID:	124735
PubChem CID:	50894434
Reduced:	NSCl2O4C17H17 (1)
Stoich.:	ABC2D4E17F17 (1)
Weight, g/mol:	420.099122
ΔH_f, kcal/mol:	-133.05
Dipole, Da:	4.9
IP(EA), eV:	-9.6(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(N-(3-nitrophenyl)sulfonyl-3-prop-2-enoxyanilino)acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations