Geometry & MOs

Info

ID:	357400
PubChem CID:	127294033
Reduced:	ClN2O3C21H31 (1)
Stoich.:	AB2C3D21E31 (1)
Weight, g/mol:	399.125277
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	4.94
IP(EA), eV:	-8.75(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1CCOC(C1)CNC(=O)C2(CCOCC2)C3=CC=CC=C3Cl

DOS

IR

Vibrations