Geometry & MOs

Info

ID:	177849
PubChem CID:	76241292
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	426.153934
ΔH_f, kcal/mol:	-117.58
Dipole, Da:	9.52
IP(EA), eV:	-8.8(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-2-oxoethyl] 3-phenylpyrazolidine-4-carboxylate

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2CCC(CC2NC1=S)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations