Geometry & MOs

Info

ID:	195282
PubChem CID:	78668604
Reduced:	NS2O6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-161.81
Dipole, Da:	3.51
IP(EA), eV:	-9.41(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-[4-methoxy-3-(methylsulfamoyl)phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CNS(=O)(=O)C1=C(C=CC(=C1)C=CC(=O)OCC(=O)C2=CC=CS2)OC

DOS

IR

Vibrations