Geometry & MOs

Info

ID:	243518
PubChem CID:	99225775
Reduced:	BrN2O4C19H27 (1)
Stoich.:	AB2C4D19E27 (1)
Weight, g/mol:	486.230077
ΔH_f, kcal/mol:	-169.65
Dipole, Da:	4.82
IP(EA), eV:	-8.97(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-1-(N-methylanilino)propan-2-yl]-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1Br)C(=O)N[C@H](C)C(=O)NC2CCCC2)OC

DOS

IR

Vibrations