Geometry & MOs

Info

ID:	245503
PubChem CID:	99445277
Reduced:	BrN2O3C17H23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	382.08921
ΔH_f, kcal/mol:	-115.18
Dipole, Da:	10.29
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(3-bromophenyl)-N-ethyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN([C@@H](C)COC)C(=O)[C@H]1CC(=O)N(C1)C2=CC(=CC=C2)Br

DOS

IR

Vibrations