Geometry & MOs

Info

ID:	370958
PubChem CID:	127341576
Reduced:	N2S2O5C15H20 (1)
Stoich.:	A2B2C5D15E20 (1)
Weight, g/mol:	311.086115
ΔH_f, kcal/mol:	-166.56
Dipole, Da:	6.9
IP(EA), eV:	-10.05(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3CC3

DOS

IR

Vibrations