Geometry & MOs

Info

ID:	271438
PubChem CID:	103678451
Reduced:	SN3O3C7H13 (1)
Stoich.:	AB3C3D7E13 (1)
Weight, g/mol:	282.157957
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	3.43
IP(EA), eV:	-10.26(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NCCC1=NOC=N1

DOS

IR

Vibrations