Geometry & MOs

Info

ID:	273329
PubChem CID:	103770917
Reduced:	SN2O3C14H22 (1)
Stoich.:	AB2C3D14E22 (1)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	-129.59
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-1,4-dioxane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CN(C)C(=O)C1=CC=CS1)O

DOS

IR

Vibrations