Geometry & MOs

Info

ID:	363648
PubChem CID:	127311749
Reduced:	SO2N4C18H32 (1)
Stoich.:	AB2C4D18E32 (1)
Weight, g/mol:	286.146347
ΔH_f, kcal/mol:	-113.71
Dipole, Da:	5.13
IP(EA), eV:	-8.6(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-(2-thiomorpholin-4-ylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CC2CCN(CC2)C(=O)NCCN3CCSCC3

DOS

IR

Vibrations