Geometry & MOs

Info

ID:	351872
PubChem CID:	127282790
Reduced:	N2O2S2C9H20 (1)
Stoich.:	A2B2C2D9E20 (1)
Weight, g/mol:	278.11227
ΔH_f, kcal/mol:	-103.95
Dipole, Da:	4.36
IP(EA), eV:	-8.57(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(azepan-1-ylsulfonyl)-2-methylthiomorpholine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCSC(C1)C

DOS

IR

Vibrations