Geometry & MOs

Info

ID:	292266
PubChem CID:	114781130
Reduced:	ClNSO4C12H22 (1)
Stoich.:	ABCD4E12F22 (1)
Weight, g/mol:	277.090328
ΔH_f, kcal/mol:	-212.06
Dipole, Da:	6.37
IP(EA), eV:	-9.69(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(thiolan-2-yl)methanone

Drug info:

PubChemData

Smile

CC1(CN(CC(O1)CCl)C(=O)C(C)(C)S(=O)(=O)C)C

DOS

IR

Vibrations