Geometry & MOs

Info

ID:	344883
PubChem CID:	127268643
Reduced:	NO2S2C9H19 (1)
Stoich.:	AB2C2D9E19 (1)
Weight, g/mol:	279.096286
ΔH_f, kcal/mol:	-104.73
Dipole, Da:	3.41
IP(EA), eV:	-8.64(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(oxan-2-ylmethylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

CC(C)CS(=O)(=O)N1CCCSCC1

DOS

IR

Vibrations