Geometry & MOs

Info

ID:	130272
PubChem CID:	51075467
Reduced:	NS2O4C12H19 (1)
Stoich.:	AB2C4D12E19 (1)
Weight, g/mol:	308.140593
ΔH_f, kcal/mol:	-169.11
Dipole, Da:	4.45
IP(EA), eV:	-9.49(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2,6-dimethylmorpholin-4-yl)sulfonyl-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)N(C)CCCC(=O)OC

DOS

IR

Vibrations