Geometry & MOs

Info

ID:	195025
PubChem CID:	78623712
Reduced:	N3O3C19H27 (1)
Stoich.:	A3B3C19D27 (1)
Weight, g/mol:	395.151492
ΔH_f, kcal/mol:	-107.89
Dipole, Da:	7.05
IP(EA), eV:	-8.88(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1,1-dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 5-phenylpyrazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)COC(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations