Geometry & MOs

Info

ID:	153506
PubChem CID:	56312740
Reduced:	FSO3N4C21H23 (1)
Stoich.:	ABC3D4E21F23 (1)
Weight, g/mol:	431.182062
ΔH_f, kcal/mol:	-92.01
Dipole, Da:	2.98
IP(EA), eV:	-8.91(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-difluorophenyl)-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=NC(=C2N1C=CC=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations