Geometry & MOs

Info

ID:	275346
PubChem CID:	103815350
Reduced:	S2N3O3C9H13 (1)
Stoich.:	A2B3C3D9E13 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-97.98
Dipole, Da:	7.7
IP(EA), eV:	-9.89(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-hydroxyhexyl)morpholine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC=C(S1)S(=O)(=O)NC2CCC(=O)NC2

DOS

IR

Vibrations