Geometry & MOs

Info

ID:	285354
PubChem CID:	104102199
Reduced:	NSO4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	237.067094
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	6.62
IP(EA), eV:	-9.13(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(oxazinan-2-ylsulfonyl)propanoate

Drug info:

PubChemData

Smile

C1CN(OC1)S(=O)(=O)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations