Geometry & MOs

Info

ID:	46024
PubChem CID:	10520534
Reduced:	NSO2C19H25 (1)
Stoich.:	ABC2D19E25 (1)
Weight, g/mol:	331.017827
ΔH_f, kcal/mol:	-63.27
Dipole, Da:	1.81
IP(EA), eV:	-9.08(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E)-3-(2,4-dichloro-5-fluorophenyl)-3-oxo-2-pyrrolidin-2-ylidenepropanoate

Drug info:

PubChemData

Smile

CC(C)C(=O)SC(C=C(C)C)C(C)(C)C1=NC2=CC=CC=C2O1

DOS

IR

Vibrations