Geometry & MOs

Info

ID:	356337
PubChem CID:	127291410
Reduced:	OSN2C9H13 (2)
Stoich.:	ABC2D9E13 (2)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-38.76
Dipole, Da:	1.03
IP(EA), eV:	-8.89(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopentanecarbonyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCCN(CC3)CC4=CSC=N4

DOS

IR

Vibrations