Geometry & MOs

Info

ID:	358727
PubChem CID:	127296541
Reduced:	SN3O3C13H27 (1)
Stoich.:	AB3C3D13E27 (1)
Weight, g/mol:	319.192963
ΔH_f, kcal/mol:	-137.53
Dipole, Da:	4.06
IP(EA), eV:	-9.11(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNS(=O)(=O)N2CCCCC2

DOS

IR

Vibrations