Geometry & MOs

Info

ID:	246848
PubChem CID:	103065093
Reduced:	SN2O2C14H22 (1)
Stoich.:	AB2C2D14E22 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-114.33
Dipole, Da:	4.09
IP(EA), eV:	-8.75(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpropyl)-1-(thiolan-3-yl)-1,4-diazepane-2,5-dione

Drug info:

PubChemData

Smile

CC1C(=O)NC2(CCCCC2)C(=O)N1C3CCSC3

DOS

IR

Vibrations