Geometry & MOs

Info

ID:	36568
PubChem CID:	8008981
Reduced:	BrFO2N3C18H18 (1)
Stoich.:	ABC2D3E18F18 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-4.99
Dipole, Da:	7.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.978629
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-benzyl-N-ethyl-5-oxo-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[NH+](CCOC1=CC=C(C=C1)Br)CC2=NN=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations