Geometry & MOs

Info

ID:	195322
PubChem CID:	78672379
Reduced:	ClNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	414.122714
ΔH_f, kcal/mol:	-172.39
Dipole, Da:	4.33
IP(EA), eV:	-9.63(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoroanilino)-2-oxoethyl] 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)COC(=O)COC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations