Geometry & MOs

Info

ID:	315053
PubChem CID:	126624295
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	187.084458
ΔH_f, kcal/mol:	-76.22
Dipole, Da:	2.05
IP(EA), eV:	-8.95(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-acetamido-4-oxohexanoic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1O)CNC(C)SC)CO

DOS

IR

Vibrations