Geometry & MOs

Info

ID:	147180
PubChem CID:	53786833
Reduced:	SN3O6C20H21 (1)
Stoich.:	AB3C6D20E21 (1)
Weight, g/mol:	145.073893
ΔH_f, kcal/mol:	-139.44
Dipole, Da:	2.51
IP(EA), eV:	-8.97(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(2S)-1-oxopropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CCC([C@@H]1[C@H]2N(C1=O)C(=C(C(=[N+]=[N-])[S@@]2=O)C)C(=O)OCC3=CC=CC=C3)OC(=O)C

DOS

IR

Vibrations