Geometry & MOs

Info

ID:	357814
PubChem CID:	127294657
Reduced:	S2N3O4C13H25 (1)
Stoich.:	A2B3C4D13E25 (1)
Weight, g/mol:	349.149384
ΔH_f, kcal/mol:	-195.36
Dipole, Da:	1.87
IP(EA), eV:	-8.75(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)azepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(CNC(=O)NCCS(=O)(=O)N2CCSCC2)O

DOS

IR

Vibrations