Geometry & MOs

Info

ID:	243608
PubChem CID:	99233344
Reduced:	SF2N2O3C19H26 (1)
Stoich.:	AB2C2D3E19F26 (1)
Weight, g/mol:	391.192963
ΔH_f, kcal/mol:	-221.77
Dipole, Da:	3.46
IP(EA), eV:	-9.35(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-[(2R)-2-propan-2-ylpyrrolidin-1-yl]hexan-1-one

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)F)F

DOS

IR

Vibrations