Geometry & MOs

Info

ID:	168829
PubChem CID:	75024501
Reduced:	ClN3S3O4H18C20 (1)
Stoich.:	AB3C3D4E18F20 (1)
Weight, g/mol:	381.119878
ΔH_f, kcal/mol:	-59.9
Dipole, Da:	8.83
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-(3-fluorophenyl)thiophen-2-yl]-hydroxymethyl]-1-methyl-4-phenylpyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations