Geometry & MOs

Info

ID:	356405
PubChem CID:	127291478
Reduced:	SN3O3C20H27 (1)
Stoich.:	AB3C3D20E27 (1)
Weight, g/mol:	398.106706
ΔH_f, kcal/mol:	-129.36
Dipole, Da:	4.73
IP(EA), eV:	-8.73(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NC2=CC(=CC=C2)N3CCCCC3=O

DOS

IR

Vibrations