Geometry & MOs

Info

ID:	246813
PubChem CID:	103065029
Reduced:	SN2O2C10H16 (1)
Stoich.:	AB2C2D10E16 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-81.07
Dipole, Da:	5.17
IP(EA), eV:	-8.62(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations