Geometry & MOs

Info

ID:	301948
PubChem CID:	123101563
Reduced:	NSO5C13H23 (1)
Stoich.:	ABC5D13E23 (1)
Weight, g/mol:	353.129694
ΔH_f, kcal/mol:	-229.72
Dipole, Da:	1.71
IP(EA), eV:	-8.64(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfinylbutanoate

Drug info:

PubChemData

Smile

CCC(C)OC(=O)C(C)S(=O)CC(=O)N1CCOCC1

DOS

IR

Vibrations