Geometry & MOs

Info

ID:	357353
PubChem CID:	127293986
Reduced:	S2N3O4C12H21 (1)
Stoich.:	A2B3C4D12E21 (1)
Weight, g/mol:	363.128649
ΔH_f, kcal/mol:	-179.55
Dipole, Da:	6.13
IP(EA), eV:	-8.9(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazepan-1-yl)-N-(2-thiomorpholin-4-ylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

C1CC(=O)NCC1C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations