Geometry & MOs

Info

ID:	70418
PubChem CID:	48413323
Reduced:	SN2O6C16H20 (1)
Stoich.:	AB2C6D16E20 (1)
Weight, g/mol:	404.107579
ΔH_f, kcal/mol:	-202.33
Dipole, Da:	5.61
IP(EA), eV:	-9.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[3-(dimethylsulfamoyl)phenyl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)S(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

DOS

IR

Vibrations