Geometry & MOs

Info

ID:	60798
PubChem CID:	26702297
Reduced:	SF2N2O5C24H26 (1)
Stoich.:	AB2C2D5E24F26 (1)
Weight, g/mol:	491.11489
ΔH_f, kcal/mol:	-248.07
Dipole, Da:	7.75
IP(EA), eV:	-8.83(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F)C4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations