Geometry & MOs

Info

ID:	246849
PubChem CID:	103065096
Reduced:	SN2O2C13H22 (1)
Stoich.:	AB2C2D13E22 (1)
Weight, g/mol:	254.108899
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	6.0
IP(EA), eV:	-8.79(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(thiolan-3-yl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)N(CCC(=O)N1)C2CCSC2

DOS

IR

Vibrations