Geometry & MOs

Info

ID:	59402
PubChem CID:	24854702
Reduced:	ON5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	387.08103
ΔH_f, kcal/mol:	62.32
Dipole, Da:	3.48
IP(EA), eV:	-8.47(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[cycloheptyl(hydroxy)methyl]-1,1-dioxo-1-benzothiophen-6-yl] sulfamate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2OCC4=CN=CC=C4

DOS

IR

Vibrations