Geometry & MOs

Info

ID:	245500
PubChem CID:	99445274
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	382.08921
ΔH_f, kcal/mol:	-106.99
Dipole, Da:	5.4
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN([C@H](C)COC)C(=O)C1=CC(=C(C=C1)OCC2=CSC=N2)OC

DOS

IR

Vibrations