Geometry & MOs

Info

ID:	46397
PubChem CID:	10524241
Reduced:	O3Cl6H6C10 (1)
Stoich.:	A3B6C6D10 (1)
Weight, g/mol:	386.06413
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	2.01
IP(EA), eV:	-9.94(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(3S)-1-[(5-bromo-2-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]carbamate

Drug info:

PubChemData

Smile

COC1(C(=O)C(=C([C@@]2([C@]1(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)OC

DOS

IR

Vibrations