Geometry & MOs

Info

ID:	339180
PubChem CID:	127260559
Reduced:	Cl2N2O2C7H18 (1)
Stoich.:	A2B2C2D7E18 (1)
Weight, g/mol:	298.062343
ΔH_f, kcal/mol:	-172.47
Dipole, Da:	1.37
IP(EA), eV:	-9.39(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-2-phenylethenyl]sulfonylcarbamoylamino]propanoic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)C(CN)N.Cl.Cl

DOS

IR

Vibrations