Geometry & MOs

Info

ID:	124163
PubChem CID:	50873689
Reduced:	FNSH10C14 (1)
Stoich.:	ABCD10E14 (1)
Weight, g/mol:	251.071306
ΔH_f, kcal/mol:	16.51
Dipole, Da:	1.82
IP(EA), eV:	-9.03(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylphenyl)-5-oxopyrrolidine-3-carbonyl chloride

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)SC(=N2)C3=CC(=CC=C3)F

DOS

IR

Vibrations