Geometry & MOs

Info

ID:	246812
PubChem CID:	103065028
Reduced:	SN2O2C15H26 (1)
Stoich.:	AB2C2D15E26 (1)
Weight, g/mol:	228.093249
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	3.16
IP(EA), eV:	-8.63(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(C(=O)N1)C(C)C)C2CCSC2)CC

DOS

IR

Vibrations