Geometry & MOs

Info

ID:	353779
PubChem CID:	127285415
Reduced:	SO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	251.101371
ΔH_f, kcal/mol:	-79.91
Dipole, Da:	3.9
IP(EA), eV:	-8.51(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methylbutylsulfonyl)-1,4-thiazepane

Drug info:

PubChemData

Smile

CC(C)(C)C(CN1CCC2=CC=CC=C2C1)NS(=O)(=O)N3CCCC3

DOS

IR

Vibrations