Geometry & MOs

Info

ID:	358080
PubChem CID:	127295625
Reduced:	SN2O2C13H26 (1)
Stoich.:	AB2C2D13E26 (1)
Weight, g/mol:	380.176979
ΔH_f, kcal/mol:	-108.07
Dipole, Da:	6.46
IP(EA), eV:	-8.99(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3-pyrrolidin-1-ylazepane

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCCC(C1)N2CCCC2

DOS

IR

Vibrations