Geometry & MOs

Info

ID:	356326
PubChem CID:	127291399
Reduced:	SO3N4C15H24 (1)
Stoich.:	AB3C4D15E24 (1)
Weight, g/mol:	394.136257
ΔH_f, kcal/mol:	-126.62
Dipole, Da:	5.19
IP(EA), eV:	-9.15(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentanecarbonyl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCCN(CC3)C(=O)N

DOS

IR

Vibrations