Geometry & MOs

Info

ID:	347323
PubChem CID:	127272162
Reduced:	SO2N3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-55.81
Dipole, Da:	3.02
IP(EA), eV:	-8.63(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)OCC2=CC(=CC=C2)NC(=O)N3CCC(CC3)C4=NC=CS4

DOS

IR

Vibrations