Geometry & MOs

Info

ID:	388553
PubChem CID:	134989499
Reduced:	ClSO3N4H5C7 (1)
Stoich.:	ABC3D4E5F7 (1)
Weight, g/mol:	238.120509
ΔH_f, kcal/mol:	-37.94
Dipole, Da:	2.55
IP(EA), eV:	-10.45(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dicyclopropylmethylidene)-4-ethoxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=C2C(=CC(=C1S(=O)(=O)N)Cl)NN=NC2=O

DOS

IR

Vibrations