Geometry & MOs

Info

ID:	196007
PubChem CID:	78765591
Reduced:	NSO3H17C20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	289.131408
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	1.99
IP(EA), eV:	-9.32(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-2-pyrrolidin-1-ylethyl) 4-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(S2)COC(=O)CCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations