Geometry & MOs

Info

ID:	358084
PubChem CID:	127295629
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	364.14905
ΔH_f, kcal/mol:	-136.42
Dipole, Da:	6.58
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-pyrrolidin-1-ylazepan-1-yl)sulfonylthiane 1,1-dioxide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations