Geometry & MOs

Info

ID:	38001
PubChem CID:	8026316
Reduced:	OSN4C18H20 (1)
Stoich.:	ABC4D18E20 (1)
Weight, g/mol:	417.1536
ΔH_f, kcal/mol:	50.71
Dipole, Da:	6.29
IP(EA), eV:	-8.57(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(2-anilino-4-oxofuran-3-carbonyl)oxyacetyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=CN2)C(=O)CSC3=NN=C(N3CC=C)C

DOS

IR

Vibrations