Geometry & MOs

Info

ID:	357846
PubChem CID:	127294689
Reduced:	S2N3O3C16H31 (1)
Stoich.:	A2B3C3D16E31 (1)
Weight, g/mol:	335.133734
ΔH_f, kcal/mol:	-165.77
Dipole, Da:	9.0
IP(EA), eV:	-8.57(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC1CCCN1C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations