Geometry & MOs

Info

ID:	60343
PubChem CID:	26683847
Reduced:	SN3O5C21H23 (1)
Stoich.:	AB3C5D21E23 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	-142.99
Dipole, Da:	5.19
IP(EA), eV:	-8.81(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidine-1-carbonyl]-N-cyclopentyl-2-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3)OC)S(=O)(=O)NC4CCCC4

DOS

IR

Vibrations