Geometry & MOs

Info

ID:	357841
PubChem CID:	127294684
Reduced:	S2N3O4C12H23 (1)
Stoich.:	A2B3C4D12E23 (1)
Weight, g/mol:	350.144633
ΔH_f, kcal/mol:	-191.68
Dipole, Da:	2.64
IP(EA), eV:	-8.78(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)NCCS(=O)(=O)N2CCSCC2)O

DOS

IR

Vibrations