Geometry & MOs

Info

ID:	38152
PubChem CID:	8027437
Reduced:	BrNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	199.0667
ΔH_f, kcal/mol:	-34.7
Dipole, Da:	2.03
IP(EA), eV:	-9.27(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-ethenyl-3-(2-methylsulfanylacetyl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

C=CN1CC[C@H](C1=O)C(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations