Geometry & MOs

Info

ID:	165919
PubChem CID:	74614559
Reduced:	FN3O3C20H26 (1)
Stoich.:	AB3C3D20E26 (1)
Weight, g/mol:	459.194026
ΔH_f, kcal/mol:	-134.48
Dipole, Da:	5.2
IP(EA), eV:	-8.87(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(1,1-dioxo-1,2-benzothiazol-3-yl)pyrrolidine-2-carbonyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3)F

DOS

IR

Vibrations