Geometry & MOs

Info

ID:	344885
PubChem CID:	127268645
Reduced:	NS2O3C10H19 (1)
Stoich.:	AB2C3D10E19 (1)
Weight, g/mol:	277.117021
ΔH_f, kcal/mol:	-136.06
Dipole, Da:	4.99
IP(EA), eV:	-8.56(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylmethylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

C1CC(OC1)CS(=O)(=O)N2CCCSCC2

DOS

IR

Vibrations