Geometry & MOs

Info

ID:	368841
PubChem CID:	127330713
Reduced:	SN3O4C17H21 (1)
Stoich.:	AB3C4D17E21 (1)
Weight, g/mol:	249.139865
ΔH_f, kcal/mol:	-122.07
Dipole, Da:	4.18
IP(EA), eV:	-9.15(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methoxypropan-2-ylsulfonyl)-4-methylazepane

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)NS(=O)(=O)CC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations