Geometry & MOs

Info

ID:	268926
PubChem CID:	103602262
Reduced:	SN2O3C13H16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	278.126657
ΔH_f, kcal/mol:	-92.43
Dipole, Da:	3.81
IP(EA), eV:	-9.45(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyanophenoxy)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(CO)(CO)NC(=O)C1=CC2=C(C=C1)N=CS2

DOS

IR

Vibrations