Geometry & MOs

Info

ID:	155064
PubChem CID:	56320635
Reduced:	SO4N7C14H23 (1)
Stoich.:	AB4C7D14E23 (1)
Weight, g/mol:	428.092119
ΔH_f, kcal/mol:	-82.54
Dipole, Da:	14.11
IP(EA), eV:	-9.83(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)COC(=O)CCNS(=O)(=O)C2=CN(C(=N2)C)C

DOS

IR

Vibrations