Geometry & MOs

Info

ID:	380146
PubChem CID:	134965164
Reduced:	ClSN2O2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	261.092042
ΔH_f, kcal/mol:	-31.93
Dipole, Da:	1.97
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,4R)-1-benzyl-3-(1-chloroethylidene)-4-ethenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C=CC[C@@H]1C(=CN(S(=O)(=O)N1)CC2=CC=CC=C2)Cl

DOS

IR

Vibrations